2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine

C11H27N3 — CID 174795917

IUPAC2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
SMILESCC1CCC(N)C(C)C1.NCCCN
InChIInChI=1S/C8H17N.C3H10N2/c1-6-3-4-8(9)7(2)5-6;4-2-1-3-5/h6-8H,3-5,9H2,1-2H3;1-5H2
InChIKeyVREXJKPFQKJNBY-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.06
Rot. Bonds2

About 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine

2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine (PubChem CID 174795917) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine.

Molecular Properties

Compound Name2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
PubChem CID174795917
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine
SMILESCC1CCC(N)C(C)C1.NCCCN
InChIInChI=1S/C8H17N.C3H10N2/c1-6-3-4-8(9)7(2)5-6;4-2-1-3-5/h6-8H,3-5,9H2,1-2H3;1-5H2
InChIKeyVREXJKPFQKJNBY-UHFFFAOYSA-N
XLogP1.06
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethylcyclohexan-1-amine;propane-1,3-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 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine?
The IUPAC name of 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine (CID 174795917) is 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine.
What is the SMILES notation for 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine?
The canonical SMILES for 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine is CC1CCC(N)C(C)C1.NCCCN.
What is the InChIKey of 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine?
The InChIKey is VREXJKPFQKJNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C3H10N2/c1-6-3-4-8(9)7(2)5-6;4-2-1-3-5/h6-8H,3-5,9H2,1-2H3;1-5H2.
What are the key properties of 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine?
2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylcyclohexan-1-amine;propane-1,3-diamine is sourced from PubChem (CID 174795917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).