N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine

C15H34N2 — CID 79470505

IUPACN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3
InChIKeyCGYJLFNENAWAKP-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.37
Rot. Bonds10

About N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine

N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (PubChem CID 79470505) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
PubChem CID79470505
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine
SMILESCCC(C)CN(CC)CCC(CN)CC(C)C
InChIInChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3
InChIKeyCGYJLFNENAWAKP-UHFFFAOYSA-N
XLogP3.37
TPSA29.26 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-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 N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine (CID 79470505) is N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is CCC(C)CN(CC)CCC(CN)CC(C)C.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is CGYJLFNENAWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-14(5)12-17(7-2)9-8-15(11-16)10-13(3)4/h13-15H,6-12,16H2,1-5H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine?
N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylbutyl)-2-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 79470505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).