2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine

C13H30N2 — CID 83043720

IUPAC2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
SMILESCCCCN(CC)C(CCC)CNCC
InChIInChI=1S/C13H30N2/c1-5-9-11-15(8-4)13(10-6-2)12-14-7-3/h13-14H,5-12H2,1-4H3
InChIKeyCLIRCGZHNPUZKF-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds10

About 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine

2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine (PubChem CID 83043720) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
PubChem CID83043720
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
SMILESCCCCN(CC)C(CCC)CNCC
InChIInChI=1S/C13H30N2/c1-5-9-11-15(8-4)13(10-6-2)12-14-7-3/h13-14H,5-12H2,1-4H3
InChIKeyCLIRCGZHNPUZKF-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butyl-1-N,2-N-diethylpentane-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-butyl-1-N,2-N-diethylpentane-1,2-diamine?
The IUPAC name of 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine (CID 83043720) is 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine is CCCCN(CC)C(CCC)CNCC.
What is the InChIKey of 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine?
The InChIKey is CLIRCGZHNPUZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-9-11-15(8-4)13(10-6-2)12-14-7-3/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine?
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine is sourced from PubChem (CID 83043720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).