2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

C20H41N — CID 63401640

IUPAC2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCCCCCC1CC(C(C)C)CCC1NC
InChIInChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-13-19-16-18(17(2)3)14-15-20(19)21-4/h17-21H,5-16H2,1-4H3
InChIKeyKULWRPVVLUJSPL-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.18
Rot. Bonds11

About 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401640) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401640
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCCCCCCCCCCC1CC(C(C)C)CCC1NC
InChIInChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-13-19-16-18(17(2)3)14-15-20(19)21-4/h17-21H,5-16H2,1-4H3
InChIKeyKULWRPVVLUJSPL-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-amine
CID 83158361
N,4-dimethyl-2-nonylcyclohexan-1-amine
CID 63403610
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63495395
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
N-[(2-hexyl-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030673
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
CID 63401228
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
2-methyl-N-[(2-pentyl-4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 81030526
2-(cyclopentylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 55219366
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
CID 63698976

Frequently Asked Questions

What is the IUPAC name of 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63401640) is 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine is CCCCCCCCCCC1CC(C(C)C)CCC1NC.
What is the InChIKey of 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is KULWRPVVLUJSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-5-6-7-8-9-10-11-12-13-19-16-18(17(2)3)14-15-20(19)21-4/h17-21H,5-16H2,1-4H3.
What are the key properties of 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 6.18, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).