3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine

C15H32N2 — CID 43423216

IUPAC3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-10-14(16)15(5-2)17(6-3)13-11-8-7-9-12-13/h13-15H,4-12,16H2,1-3H3
InChIKeyLLXVBGYFNSAXDT-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.55
Rot. Bonds7

About 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine

3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine (PubChem CID 43423216) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
PubChem CID43423216
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-4-10-14(16)15(5-2)17(6-3)13-11-8-7-9-12-13/h13-15H,4-12,16H2,1-3H3
InChIKeyLLXVBGYFNSAXDT-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-cyclohexyl-3-N-ethylheptane-3,4-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 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine?
The IUPAC name of 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine (CID 43423216) is 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine.
What is the SMILES notation for 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine?
The canonical SMILES for 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine is CCCC(N)C(CC)N(CC)C1CCCCC1.
What is the InChIKey of 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine?
The InChIKey is LLXVBGYFNSAXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-10-14(16)15(5-2)17(6-3)13-11-8-7-9-12-13/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine?
3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine is sourced from PubChem (CID 43423216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).