4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine

C13H28N2 — CID 79112208

IUPAC4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CC(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H28N2/c1-4-9-15(10-11(2)3)13-7-5-12(14)6-8-13/h11-13H,4-10,14H2,1-3H3
InChIKeyZFPKCPPPGHRQBJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds5

About 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112208) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112208
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(CC(C)C)C1CCC(N)CC1
InChIInChI=1S/C13H28N2/c1-4-9-15(10-11(2)3)13-7-5-12(14)6-8-13/h11-13H,4-10,14H2,1-3H3
InChIKeyZFPKCPPPGHRQBJ-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-N-(2-methylpropyl)-4-N-propylcyclohexane-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-(2-methoxyethyl)-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62806205
3-[(4-aminocyclohexyl)-(2-methylpropyl)amino]propanenitrile
CID 79468498
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
1-[cyclopropyl(propyl)amino]propan-2-ol
CID 60886554
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
CID 64995969
N',1-dicyclopropyl-N'-propylethane-1,2-diamine
CID 63912333
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-N-(2,6-dimethylheptan-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 114868433

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine (CID 79112208) is 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine is CCCN(CC(C)C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is ZFPKCPPPGHRQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-15(10-11(2)3)13-7-5-12(14)6-8-13/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).