3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine

C15H32N2 — CID 79413799

IUPAC3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCCC1CCC(N(C)C(C)C(C)CNC)CC1
InChIInChI=1S/C15H32N2/c1-6-14-7-9-15(10-8-14)17(5)13(3)12(2)11-16-4/h12-16H,6-11H2,1-5H3
InChIKeyNEUBTLXEKKUKSR-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds6

About 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine

3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine (PubChem CID 79413799) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
PubChem CID79413799
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine
SMILESCCC1CCC(N(C)C(C)C(C)CNC)CC1
InChIInChI=1S/C15H32N2/c1-6-14-7-9-15(10-8-14)17(5)13(3)12(2)11-16-4/h12-16H,6-11H2,1-5H3
InChIKeyNEUBTLXEKKUKSR-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-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 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine (CID 79413799) is 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine is CCC1CCC(N(C)C(C)C(C)CNC)CC1.
What is the InChIKey of 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
The InChIKey is NEUBTLXEKKUKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-6-14-7-9-15(10-8-14)17(5)13(3)12(2)11-16-4/h12-16H,6-11H2,1-5H3.
What are the key properties of 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine?
3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylcyclohexyl)-1-N,3-N,2-trimethylbutane-1,3-diamine is sourced from PubChem (CID 79413799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).