4-cyclohexylbutane-1,1-diamine

C10H22N2 — CID 174921978

IUPAC4-cyclohexylbutane-1,1-diamine
SMILESNC(N)CCCC1CCCCC1
InChIInChI=1S/C10H22N2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,11-12H2
InChIKeyVXXHEDYXDSXBIH-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.98
Rot. Bonds4

About 4-cyclohexylbutane-1,1-diamine

4-cyclohexylbutane-1,1-diamine (PubChem CID 174921978) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 4-cyclohexylbutane-1,1-diamine.

Molecular Properties

Compound Name4-cyclohexylbutane-1,1-diamine
PubChem CID174921978
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name4-cyclohexylbutane-1,1-diamine
SMILESNC(N)CCCC1CCCCC1
InChIInChI=1S/C10H22N2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,11-12H2
InChIKeyVXXHEDYXDSXBIH-UHFFFAOYSA-N
XLogP1.98
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-cyclohexylbutane-1,1-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclobutylbutane-1,1-diamine
CID 90300630
[7-cyclohexyl-4-(2-cyclohexylethyl)heptyl]cyclohexane
CID 71438405
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-cyclopentylbutylcyclohexane
CID 144547696
3-cyclobutylpropylcyclohexane
CID 54165208
4-methylpentylcyclopentane
CID 523530
1-(cyclohexylmethyl)-4-(4-cyclopropylbutyl)cyclohexane
CID 168781110
2-amino-5-cyclooctylpentanenitrile;ethane;molecular hydrogen
CID 142227431
[4-chloro-4-(1-chloro-4-cyclohexylbutoxy)butyl]cyclohexane
CID 141354867
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
3-cyclohexyl-1-cyclopropylpropan-1-amine
CID 63355132
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylbutane-1,1-diamine?
The IUPAC name of 4-cyclohexylbutane-1,1-diamine (CID 174921978) is 4-cyclohexylbutane-1,1-diamine.
What is the SMILES notation for 4-cyclohexylbutane-1,1-diamine?
The canonical SMILES for 4-cyclohexylbutane-1,1-diamine is NC(N)CCCC1CCCCC1.
What is the InChIKey of 4-cyclohexylbutane-1,1-diamine?
The InChIKey is VXXHEDYXDSXBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,11-12H2.
What are the key properties of 4-cyclohexylbutane-1,1-diamine?
4-cyclohexylbutane-1,1-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylbutane-1,1-diamine is sourced from PubChem (CID 174921978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).