1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine

C14H30N2 — CID 83962626

IUPAC1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(15)11-16-9-8-13-6-4-3-5-7-13/h12-14,16H,3-11,15H2,1-2H3
InChIKeyAOVKUAKOXJAFSO-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds7

About 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine

1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine (PubChem CID 83962626) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
PubChem CID83962626
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(N)CNCCC1CCCCC1
InChIInChI=1S/C14H30N2/c1-12(2)10-14(15)11-16-9-8-13-6-4-3-5-7-13/h12-14,16H,3-11,15H2,1-2H3
InChIKeyAOVKUAKOXJAFSO-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692
3-(2-cyclohexylethylamino)-2-methylpropanamide
CID 60920739
2-chloro-N-(2-cyclopropylethyl)-4-methylpentan-1-amine
CID 107155904
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
2-[(3-cyclohexylpropylamino)methyl]-4-methylpentanoic acid
CID 122128024
2,4-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]pentan-1-amine
CID 114200146
methyl 2-bromo-3-(2-cyclohexylethylamino)propanoate
CID 103240079
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
2,4-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentan-1-amine
CID 114200185
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine (CID 83962626) is 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine is CC(C)CC(N)CNCCC1CCCCC1.
What is the InChIKey of 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine?
The InChIKey is AOVKUAKOXJAFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)10-14(15)11-16-9-8-13-6-4-3-5-7-13/h12-14,16H,3-11,15H2,1-2H3.
What are the key properties of 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine?
1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclohexylethyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 83962626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).