4-N-propan-2-ylcyclohexane-1,4-diamine

C9H20N2 — CID 23346808

IUPAC4-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCC(C)NC1CCC(N)CC1
InChIInChI=1S/C9H20N2/c1-7(2)11-9-5-3-8(10)4-6-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyXBIIOWJDJMRYBO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.25
Rot. Bonds2

About 4-N-propan-2-ylcyclohexane-1,4-diamine

4-N-propan-2-ylcyclohexane-1,4-diamine (PubChem CID 23346808) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-N-propan-2-ylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-propan-2-ylcyclohexane-1,4-diamine
PubChem CID23346808
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-N-propan-2-ylcyclohexane-1,4-diamine
SMILESCC(C)NC1CCC(N)CC1
InChIInChI=1S/C9H20N2/c1-7(2)11-9-5-3-8(10)4-6-9/h7-9,11H,3-6,10H2,1-2H3
InChIKeyXBIIOWJDJMRYBO-UHFFFAOYSA-N
XLogP1.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-propan-2-ylcyclohexane-1,4-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-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-propan-2-ylcycloheptanamine
CID 42562651
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148
ethane;1-N-methyl-4-N-propan-2-ylcyclohexane-1,4-diamine;molecular hydrogen
CID 177228203
4-N-(1-cyclohexylpropyl)cyclohexane-1,4-diamine
CID 79741042
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
4-N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]cyclohexane-1,4-diamine
CID 158561416
3-[4-(propan-2-ylamino)cyclohexyl]propanenitrile
CID 144865539
3-N-(1-cyclohexylethyl)cyclopentane-1,3-diamine
CID 79461481

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-ylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-propan-2-ylcyclohexane-1,4-diamine (CID 23346808) is 4-N-propan-2-ylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-propan-2-ylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-propan-2-ylcyclohexane-1,4-diamine is CC(C)NC1CCC(N)CC1.
What is the InChIKey of 4-N-propan-2-ylcyclohexane-1,4-diamine?
The InChIKey is XBIIOWJDJMRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)11-9-5-3-8(10)4-6-9/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-N-propan-2-ylcyclohexane-1,4-diamine?
4-N-propan-2-ylcyclohexane-1,4-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-ylcyclohexane-1,4-diamine is sourced from PubChem (CID 23346808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).