1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine

C142H305N21O — CID 159988948

IUPAC1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine
SMILESCC(C)N1CCN(C)CC1.CC1CC(C)N(C)C1.CC1CCC(C)C1.CC1CCC(N(C)C)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCN1.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1.CC1CCCN1C.CC1CCCNC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN1.CC1CCN1C.CC1CN(C)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.COC1CC(C)N(C)C1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.4C7H15N.2C7H14.C6H14N2.6C6H13N.C6H12.4C5H11N.C5H10.C4H9N/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(6-7)9(2)3;1-6-4-7(9-3)5-8(6)2;1-6-4-7(2)8(3)5-6;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-6(2)4-5;1-5-3-4-6(5)2;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-3-2-4-5;1-4-2-3-5-4/h8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2*2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*5H,3-4H2,1-2H3;2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;4-5H,2-3H2,1H3
InChIKeyOGRUPJDAVCWUHQ-UHFFFAOYSA-N
MW2323.15 g/mol
LogP27.07
Rot. Bonds3

About 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine

1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine (PubChem CID 159988948) has the molecular formula C142H305N21O and a molecular weight of 2323.15 g/mol. Its IUPAC name is 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine.

Molecular Properties

Compound Name1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine
PubChem CID159988948
Molecular FormulaC142H305N21O
Molecular Weight2323.15 g/mol
Exact Mass2321.45
IUPAC Name1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine
SMILESCC(C)N1CCN(C)CC1.CC1CC(C)N(C)C1.CC1CCC(C)C1.CC1CCC(N(C)C)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCN1.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1.CC1CCCN1C.CC1CCCNC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN1.CC1CCN1C.CC1CN(C)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.COC1CC(C)N(C)C1
InChIInChI=1S/C8H18N2.C8H17N.C7H15NO.4C7H15N.2C7H14.C6H14N2.6C6H13N.C6H12.4C5H11N.C5H10.C4H9N/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(6-7)9(2)3;1-6-4-7(9-3)5-8(6)2;1-6-4-7(2)8(3)5-6;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-6(2)4-5;1-5-3-4-6(5)2;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-3-2-4-5;1-4-2-3-5-4/h8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2*2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*5H,3-4H2,1-2H3;2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;4-5H,2-3H2,1H3
InChIKeyOGRUPJDAVCWUHQ-UHFFFAOYSA-N
XLogP27.07
TPSA112.43 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds3
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002323.15
LogP ≤ 527.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine with MolForge

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Related Compounds

1,2-dimethylazetidine;1,3-dimethylazetidine;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;bis(1,3-dimethylpyrrolidine);4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,1-trimethylpyrrolidin-3-amine;1,2,4-trimethylpyrrolidine
CID 157485361
Tris(2-azabicyclo[2.2.1]heptane);bis(2-azabicyclo[3.1.1]heptane);3-azabicyclo[3.1.1]heptane;tris(6-azabicyclo[3.1.1]heptane);2,5-diazabicyclo[2.2.1]heptane;2-oxa-4-azabicyclo[3.1.1]heptane;2-oxa-6-azabicyclo[2.2.1]heptane;2-oxa-6-azabicyclo[3.1.1]heptane;3-oxa-6-azabicyclo[3.1.1]heptane;6-oxa-2-azabicyclo[3.1.1]heptane
CID 160370287
Bis(2-azabicyclo[2.2.1]heptane);bis(2-azabicyclo[3.1.1]heptane);3-azabicyclo[3.1.1]heptane;bis(6-azabicyclo[3.1.1]heptane);2,5-diazabicyclo[2.2.1]heptane;3,6-diazabicyclo[3.1.1]heptane;2-oxa-4-azabicyclo[3.1.1]heptane;2-oxa-5-azabicyclo[2.2.1]heptane;2-oxa-6-azabicyclo[2.2.1]heptane;2-oxa-6-azabicyclo[3.1.1]heptane;3-oxa-6-azabicyclo[3.1.1]heptane;6-oxa-2-azabicyclo[3.1.1]heptane
CID 161615809
1,2-dimethylazetidine;1,3-dimethylazetidine;1,4-dimethylpiperazine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;(2R)-1,2-dimethylpyrrolidine;(2S)-1,2-dimethylpyrrolidine;bis((3R)-1,3-dimethylpyrrolidine);bis((3S)-1,3-dimethylpyrrolidine);methane;(2S,4R)-4-methoxy-1,2-dimethylpyrrolidine;methylcyclobutane;1-methylpiperazine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;(2R)-2-methylpyrrolidine;N,N,1-trimethylpiperidin-4-amine;(3S)-N,N,1-trimethylpyrrolidin-3-amine;(3R)-N,N,1-trimethylpyrrolidin-3-amine;(2S,4R)-1,2,4-trimethylpyrrolidine;(2S,4S)-1,2,4-trimethylpyrrolidine;(2R,4R)-1,2,4-trimethylpyrrolidine;(2R,4S)-1,2,4-trimethylpyrrolidine
CID 161744922

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine?
The IUPAC name of 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine (CID 159988948) is 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine.
What is the SMILES notation for 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine?
The canonical SMILES for 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine is CC(C)N1CCN(C)CC1.CC1CC(C)N(C)C1.CC1CCC(C)C1.CC1CCC(N(C)C)C1.CC1CCC1.CC1CCCC1.CC1CCCCC1.CC1CCCCN1.CC1CCCCN1C.CC1CCCN(C)C1.CC1CCCN1.CC1CCCN1C.CC1CCCNC1.CC1CCN(C)C1.CC1CCN(C)CC1.CC1CCN1.CC1CCN1C.CC1CN(C)C1.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCN(C)CC1.COC1CC(C)N(C)C1.
What is the InChIKey of 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine?
The InChIKey is OGRUPJDAVCWUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C8H17N.C7H15NO.4C7H15N.2C7H14.C6H14N2.6C6H13N.C6H12.4C5H11N.C5H10.C4H9N/c1-8(2)10-6-4-9(3)5-7-10;1-7-4-5-8(6-7)9(2)3;1-6-4-7(9-3)5-8(6)2;1-6-4-7(2)8(3)5-6;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-7(2)5-6;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-6-4-3-5-7(6)2;1-6-3-2-4-7-5-6;2*1-7-5-3-2-4-6-7;1-6-4-2-3-5-7-6;1-6-4-2-3-5-6;1-5-3-6(2)4-5;1-5-3-4-6(5)2;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-3-2-4-5;1-4-2-3-5-4/h8H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;3*7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;7H,2-6H2,1H3;3-6H2,1-2H3;2*6H,3-5H2,1-2H3;6-7H,2-5H2,1H3;2*2-6H2,1H3;6-7H,2-5H2,1H3;6H,2-5H2,1H3;2*5H,3-4H2,1-2H3;2-5H2,1H3;5-6H,2-4H2,1H3;5H,2-4H2,1H3;4-5H,2-3H2,1H3.
What are the key properties of 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine?
1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine has a molecular weight of 2323.15 g/mol, XLogP of 27.07, 3 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylazetidine;1,3-dimethylazetidine;1,3-dimethylcyclopentane;1,4-dimethylpiperazine;1,2-dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;4-methoxy-1,2-dimethylpyrrolidine;2-methylazetidine;methylcyclobutane;methylcyclohexane;methylcyclopentane;bis(1-methylpiperidine);2-methylpiperidine;3-methylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methylpyrrolidine;2-methylpyrrolidine;N,N,3-trimethylcyclopentan-1-amine;1,2,4-trimethylpyrrolidine is sourced from PubChem (CID 159988948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).