1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane

C214H433N21 — CID 167563097

IUPAC1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane
SMILESCC1CC2(C1)CN(C)C2.CC1CC2(CCN(C)C2)C1.CC1CC2(CCN(C)CC2)C1.CC1CC2CC1CN2C.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CCC1CC(C)C1.CCC1CC(CNC)C1.CCC1CCC(CC)CC1.CCC1CCC(CNC)C1.CCC1CCC(CNC)CC1.CCC1CCC(NC)C1.CCC1CCN(C)C1.CCC1CCN(C)CC1.CCC1CC[C@H](C)C1.CCC1CN(C)C1.CCCC1CC(C)C1.CCCC1CCC(C)CC1.CNC1CC(C)C1.CNC1CCC(C)CC1.CNCC1CC[C@H](C)C1.C[C@@H]1CCC2(C1)CN(C)C2.C[C@@H]1CCC2(CCN(C)C2)C1.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCN(C)C1
InChIInChI=1S/C11H21N.3C10H19N.C10H21N.2C10H20.2C9H17N.C9H19N.2C8H15N.5C8H17N.2C8H16.2C7H15N.C7H14.3C6H13N.C5H11N/c1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-7-10(8-9)3-5-11(2)6-4-10;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-4-10-7-5-9(2)6-8-10;1-3-9-5-7-10(4-2)8-6-9;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(5-8)6-10(2)7-9;1-3-8-4-5-9(6-8)7-10-2;1-7-3-8(4-7)5-9(2)6-8;1-6-3-8-4-7(6)5-9(8)2;1-7-3-5-8(9-2)6-4-7;1-7-3-4-8(5-7)6-9-2;1-3-7-4-8(5-7)6-9-2;1-3-8-4-6-9(2)7-5-8;1-3-7-4-5-8(6-7)9-2;1-3-8-5-4-7(2)6-8;1-3-4-8-5-7(2)6-8;1-7-3-5-8(2)6-4-7;1-3-7-4-5-8(2)6-7;1-3-7-4-6(2)5-7;1-5-3-6(4-5)7-2;1-6-3-4-7(2)5-6;1-3-6-4-7(2)5-6;1-5-3-6(2)4-5/h10H,3-9H2,1-2H3;3*9H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3/t10-;;;9-,10?;;;;;8-;;;;;7-,8?;;;;7-,8?;;;;;;6-;;/m1..1....1....0...0.....0../s1
InChIKeyDXOPJNUXYZCSCB-RFMUPWSTSA-N
MW3300.96 g/mol
LogP49.64
Rot. Bonds26

About 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane

1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane (PubChem CID 167563097) has the molecular formula C214H433N21 and a molecular weight of 3300.96 g/mol. Its IUPAC name is 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane.

Molecular Properties

Compound Name1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane
PubChem CID167563097
Molecular FormulaC214H433N21
Molecular Weight3300.96 g/mol
Exact Mass3298.45
IUPAC Name1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane
SMILESCC1CC2(C1)CN(C)C2.CC1CC2(CCN(C)C2)C1.CC1CC2(CCN(C)CC2)C1.CC1CC2CC1CN2C.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CCC1CC(C)C1.CCC1CC(CNC)C1.CCC1CCC(CC)CC1.CCC1CCC(CNC)C1.CCC1CCC(CNC)CC1.CCC1CCC(NC)C1.CCC1CCN(C)C1.CCC1CCN(C)CC1.CCC1CC[C@H](C)C1.CCC1CN(C)C1.CCCC1CC(C)C1.CCCC1CCC(C)CC1.CNC1CC(C)C1.CNC1CCC(C)CC1.CNCC1CC[C@H](C)C1.C[C@@H]1CCC2(C1)CN(C)C2.C[C@@H]1CCC2(CCN(C)C2)C1.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCN(C)C1
InChIInChI=1S/C11H21N.3C10H19N.C10H21N.2C10H20.2C9H17N.C9H19N.2C8H15N.5C8H17N.2C8H16.2C7H15N.C7H14.3C6H13N.C5H11N/c1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-7-10(8-9)3-5-11(2)6-4-10;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-4-10-7-5-9(2)6-8-10;1-3-9-5-7-10(4-2)8-6-9;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(5-8)6-10(2)7-9;1-3-8-4-5-9(6-8)7-10-2;1-7-3-8(4-7)5-9(2)6-8;1-6-3-8-4-7(6)5-9(8)2;1-7-3-5-8(9-2)6-4-7;1-7-3-4-8(5-7)6-9-2;1-3-7-4-8(5-7)6-9-2;1-3-8-4-6-9(2)7-5-8;1-3-7-4-5-8(6-7)9-2;1-3-8-5-4-7(2)6-8;1-3-4-8-5-7(2)6-8;1-7-3-5-8(2)6-4-7;1-3-7-4-5-8(2)6-7;1-3-7-4-6(2)5-7;1-5-3-6(4-5)7-2;1-6-3-4-7(2)5-6;1-3-6-4-7(2)5-6;1-5-3-6(2)4-5/h10H,3-9H2,1-2H3;3*9H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3/t10-;;;9-,10?;;;;;8-;;;;;7-,8?;;;;7-,8?;;;;;;6-;;/m1..1....1....0...0.....0../s1
InChIKeyDXOPJNUXYZCSCB-RFMUPWSTSA-N
XLogP49.64
TPSA129.57 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.96
LogP ≤ 549.64
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane?
The IUPAC name of 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane (CID 167563097) is 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane.
What is the SMILES notation for 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane?
The canonical SMILES for 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane is CC1CC2(C1)CN(C)C2.CC1CC2(CCN(C)C2)C1.CC1CC2(CCN(C)CC2)C1.CC1CC2CC1CN2C.CC1CCC2(CC1)CN(C)C2.CC1CCN(C)CC1.CC1CN(C)C1.CCC1CC(C)C1.CCC1CC(CNC)C1.CCC1CCC(CC)CC1.CCC1CCC(CNC)C1.CCC1CCC(CNC)CC1.CCC1CCC(NC)C1.CCC1CCN(C)C1.CCC1CCN(C)CC1.CCC1CC[C@H](C)C1.CCC1CN(C)C1.CCCC1CC(C)C1.CCCC1CCC(C)CC1.CNC1CC(C)C1.CNC1CCC(C)CC1.CNCC1CC[C@H](C)C1.C[C@@H]1CCC2(C1)CN(C)C2.C[C@@H]1CCC2(CCN(C)C2)C1.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCN(C)C1.
What is the InChIKey of 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane?
The InChIKey is DXOPJNUXYZCSCB-RFMUPWSTSA-N. The full InChI is InChI=1S/C11H21N.3C10H19N.C10H21N.2C10H20.2C9H17N.C9H19N.2C8H15N.5C8H17N.2C8H16.2C7H15N.C7H14.3C6H13N.C5H11N/c1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-7-10(8-9)3-5-11(2)6-4-10;1-9-3-5-10(6-4-9)7-11(2)8-10;1-9-3-4-10(7-9)5-6-11(2)8-10;1-3-9-4-6-10(7-5-9)8-11-2;1-3-4-10-7-5-9(2)6-8-10;1-3-9-5-7-10(4-2)8-6-9;1-8-5-9(6-8)3-4-10(2)7-9;1-8-3-4-9(5-8)6-10(2)7-9;1-3-8-4-5-9(6-8)7-10-2;1-7-3-8(4-7)5-9(2)6-8;1-6-3-8-4-7(6)5-9(8)2;1-7-3-5-8(9-2)6-4-7;1-7-3-4-8(5-7)6-9-2;1-3-7-4-8(5-7)6-9-2;1-3-8-4-6-9(2)7-5-8;1-3-7-4-5-8(6-7)9-2;1-3-8-5-4-7(2)6-8;1-3-4-8-5-7(2)6-8;1-7-3-5-8(2)6-4-7;1-3-7-4-5-8(2)6-7;1-3-7-4-6(2)5-7;1-5-3-6(4-5)7-2;1-6-3-4-7(2)5-6;1-3-6-4-7(2)5-6;1-5-3-6(2)4-5/h10H,3-9H2,1-2H3;3*9H,3-8H2,1-2H3;9-11H,3-8H2,1-2H3;2*9-10H,3-8H2,1-2H3;2*8H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;3*7-9H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7-9H,3-6H2,1-2H3;2*7-8H,3-6H2,1-2H3;2*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-7H,3-4H2,1-2H3;2*6H,3-5H2,1-2H3;5H,3-4H2,1-2H3/t10-;;;9-,10?;;;;;8-;;;;;7-,8?;;;;7-,8?;;;;;;6-;;/m1..1....1....0...0.....0../s1.
What are the key properties of 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane?
1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane has a molecular weight of 3300.96 g/mol, XLogP of 49.64, 26 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylcyclohexane;2,5-dimethyl-2-azabicyclo[2.2.1]heptane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,6-dimethyl-2-azaspiro[3.3]heptane;2,7-dimethyl-2-azaspiro[3.5]nonane;2,7-dimethyl-7-azaspiro[3.5]nonane;(8R)-2,8-dimethyl-2-azaspiro[4.4]nonane;2,6-dimethyl-6-azaspiro[3.4]octane;(6R)-2,6-dimethyl-2-azaspiro[3.4]octane;1,3-dimethylazetidine;N,3-dimethylcyclobutan-1-amine;N,4-dimethylcyclohexan-1-amine;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-(3-ethylcyclobutyl)-N-methylmethanamine;1-(4-ethylcyclohexyl)-N-methylmethanamine;1-(3-ethylcyclopentyl)-N-methylmethanamine;3-ethyl-1-methylazetidine;1-ethyl-3-methylcyclobutane;3-ethyl-N-methylcyclopentan-1-amine;(3S)-1-ethyl-3-methylcyclopentane;4-ethyl-1-methylpiperidine;3-ethyl-1-methylpyrrolidine;N-methyl-1-[(3S)-3-methylcyclopentyl]methanamine;1-methyl-3-propylcyclobutane;1-methyl-4-propylcyclohexane is sourced from PubChem (CID 167563097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).