2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine

C15H34N2 — CID 79483866

IUPAC2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H34N2/c1-7-14(16-10-4)12-17(11-13(5)6)15(8-2)9-3/h13-16H,7-12H2,1-6H3
InChIKeyWUJLCDCSFGCEFB-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds10

About 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine

2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine (PubChem CID 79483866) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
PubChem CID79483866
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
SMILESCCNC(CC)CN(CC(C)C)C(CC)CC
InChIInChI=1S/C15H34N2/c1-7-14(16-10-4)12-17(11-13(5)6)15(8-2)9-3/h13-16H,7-12H2,1-6H3
InChIKeyWUJLCDCSFGCEFB-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-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-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine (CID 79483866) is 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine is CCNC(CC)CN(CC(C)C)C(CC)CC.
What is the InChIKey of 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine?
The InChIKey is WUJLCDCSFGCEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-14(16-10-4)12-17(11-13(5)6)15(8-2)9-3/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine?
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine is sourced from PubChem (CID 79483866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).