3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine

C108H231N7 — CID 159131488

IUPAC3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine
SMILESC.C.C.C.CC(C)(C)C1CNC1.CC(C)(C)CC1CCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCN1.CC(C)(C)CCCN1CCCCC1.CC(C)(C)[C@H]1CCCC[C@@H]1N.CC1CCC(C(C)(C)C)CC1.CCCCN1CCN(CCC)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C12H25N.C11H24N2.C11H23N.3C11H22.2C10H21N.C10H20.C7H15N.4CH4/c1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-9-6-4-5-7-9;1-7(2,3)6-4-8-5-6;;;;/h4-11H2,1-3H3;3-11H2,1-2H3;10H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;9,11H,4-8H2,1-3H3;8-9H,4-7,11H2,1-3H3;9H,4-8H2,1-3H3;6,8H,4-5H2,1-3H3;4*1H4/t;;;;;;;8-,9-;;;;;;/m.......0....../s1
InChIKeyKGYLBSUFGXTZDS-CRBNEOOVSA-N
MW1628.08 g/mol
LogP32.27
Rot. Bonds13

About 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine

3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine (PubChem CID 159131488) has the molecular formula C108H231N7 and a molecular weight of 1628.08 g/mol. Its IUPAC name is 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine.

Molecular Properties

Compound Name3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine
PubChem CID159131488
Molecular FormulaC108H231N7
Molecular Weight1628.08 g/mol
Exact Mass1626.83
IUPAC Name3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine
SMILESC.C.C.C.CC(C)(C)C1CNC1.CC(C)(C)CC1CCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCN1.CC(C)(C)CCCN1CCCCC1.CC(C)(C)[C@H]1CCCC[C@@H]1N.CC1CCC(C(C)(C)C)CC1.CCCCN1CCN(CCC)CC1.CN1CCC(CC(C)(C)C)CC1
InChIInChI=1S/C12H25N.C11H24N2.C11H23N.3C11H22.2C10H21N.C10H20.C7H15N.4CH4/c1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-9-6-4-5-7-9;1-7(2,3)6-4-8-5-6;;;;/h4-11H2,1-3H3;3-11H2,1-2H3;10H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;9,11H,4-8H2,1-3H3;8-9H,4-7,11H2,1-3H3;9H,4-8H2,1-3H3;6,8H,4-5H2,1-3H3;4*1H4/t;;;;;;;8-,9-;;;;;;/m.......0....../s1
InChIKeyKGYLBSUFGXTZDS-CRBNEOOVSA-N
XLogP32.27
TPSA63.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001628.08
LogP ≤ 532.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine?
The IUPAC name of 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine (CID 159131488) is 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine.
What is the SMILES notation for 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine?
The canonical SMILES for 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine is C.C.C.C.CC(C)(C)C1CNC1.CC(C)(C)CC1CCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCC1.CC(C)(C)CC1CCCCN1.CC(C)(C)CCCN1CCCCC1.CC(C)(C)[C@H]1CCCC[C@@H]1N.CC1CCC(C(C)(C)C)CC1.CCCCN1CCN(CCC)CC1.CN1CCC(CC(C)(C)C)CC1.
What is the InChIKey of 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine?
The InChIKey is KGYLBSUFGXTZDS-CRBNEOOVSA-N. The full InChI is InChI=1S/C12H25N.C11H24N2.C11H23N.3C11H22.2C10H21N.C10H20.C7H15N.4CH4/c1-12(2,3)8-7-11-13-9-5-4-6-10-13;1-3-5-7-13-10-8-12(6-4-2)9-11-13;1-11(2,3)9-10-5-7-12(4)8-6-10;1-9-5-7-10(8-6-9)11(2,3)4;2*1-11(2,3)9-10-7-5-4-6-8-10;1-10(2,3)8-9-6-4-5-7-11-9;1-10(2,3)8-6-4-5-7-9(8)11;1-10(2,3)8-9-6-4-5-7-9;1-7(2,3)6-4-8-5-6;;;;/h4-11H2,1-3H3;3-11H2,1-2H3;10H,5-9H2,1-4H3;9-10H,5-8H2,1-4H3;2*10H,4-9H2,1-3H3;9,11H,4-8H2,1-3H3;8-9H,4-7,11H2,1-3H3;9H,4-8H2,1-3H3;6,8H,4-5H2,1-3H3;4*1H4/t;;;;;;;8-,9-;;;;;;/m.......0....../s1.
What are the key properties of 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine?
3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine has a molecular weight of 1628.08 g/mol, XLogP of 32.27, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylazetidine;1-tert-butyl-4-methylcyclohexane;1-butyl-4-propylpiperazine;1-(4,4-dimethylpentyl)piperidine;bis(2,2-dimethylpropylcyclohexane);2,2-dimethylpropylcyclopentane;4-(2,2-dimethylpropyl)-1-methylpiperidine;2-(2,2-dimethylpropyl)piperidine;methane;trans-(1S,2R)-2-tert-butylcyclohexan-1-amine is sourced from PubChem (CID 159131488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).