1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine

C18H36N2 — CID 60853322

IUPAC1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-3-14-18(2,19)15-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,3-15,19H2,1-2H3
InChIKeyITDOOMZHSZJDIF-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.47
Rot. Bonds6

About 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine

1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine (PubChem CID 60853322) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
PubChem CID60853322
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H36N2/c1-3-14-18(2,19)15-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,3-15,19H2,1-2H3
InChIKeyITDOOMZHSZJDIF-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-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

1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine
CID 79811831
1-N,1-N-dicyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 60868276
1-N,2-dimethyl-1-N-(4-methylcyclohexyl)pentane-1,2-diamine
CID 61438014
1-cyclopentyl-2-methylpentan-2-amine
CID 65020465
N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
CID 65000034
1-N-cycloheptyl-2-methylpentane-1,2-diamine
CID 61149614
1-N-cyclopropyl-1-N-(2-methoxyethyl)-2-methylpentane-1,2-diamine
CID 61452864
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
N-cyclohexyl-N-propylazetidin-3-amine
CID 66183284
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
2-cyclohexylpentan-2-ol
CID 75245103
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2-dimethylpentane-1,2-diamine
CID 79319921

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine?
The IUPAC name of 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine (CID 60853322) is 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine is CCCC(C)(N)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine?
The InChIKey is ITDOOMZHSZJDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-3-14-18(2,19)15-20(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h16-17H,3-15,19H2,1-2H3.
What are the key properties of 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine?
1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine is sourced from PubChem (CID 60853322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).