4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine

C13H24N2 — CID 70892576

IUPAC4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine
SMILESCC(C)CC(C)CNC1=CC=C(N)CC1
InChIInChI=1S/C13H24N2/c1-10(2)8-11(3)9-15-13-6-4-12(14)5-7-13/h4,6,10-11,15H,5,7-9,14H2,1-3H3
InChIKeyMKZAEYRZJYSXHZ-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.78
Rot. Bonds5

About 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine

4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine (PubChem CID 70892576) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine
PubChem CID70892576
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine
SMILESCC(C)CC(C)CNC1=CC=C(N)CC1
InChIInChI=1S/C13H24N2/c1-10(2)8-11(3)9-15-13-6-4-12(14)5-7-13/h4,6,10-11,15H,5,7-9,14H2,1-3H3
InChIKeyMKZAEYRZJYSXHZ-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-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 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine (CID 70892576) is 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine is CC(C)CC(C)CNC1=CC=C(N)CC1.
What is the InChIKey of 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine?
The InChIKey is MKZAEYRZJYSXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)8-11(3)9-15-13-6-4-12(14)5-7-13/h4,6,10-11,15H,5,7-9,14H2,1-3H3.
What are the key properties of 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine?
4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine has a molecular weight of 208.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-dimethylpentyl)cyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 70892576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).