1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine

C14H30N2 — CID 79111184

IUPAC1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3
InChIKeyOTNDUNNLIOUUKS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds5

About 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine (PubChem CID 79111184) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
PubChem CID79111184
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C(C)CC(C)C)CC1
InChIInChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3
InChIKeyOTNDUNNLIOUUKS-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine (CID 79111184) is 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)C(C)CC(C)C)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
The InChIKey is OTNDUNNLIOUUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)10-12(3)16(5)14-8-6-13(15-4)7-9-14/h11-15H,6-10H2,1-5H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79111184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).