1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine

C15H34N2 — CID 83054107

IUPAC1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-11-15(12-16-9-4)17(10-5)13-14(7-2)8-3/h14-16H,6-13H2,1-5H3
InChIKeyULPKJASYGYRULT-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds11

About 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine

1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine (PubChem CID 83054107) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
PubChem CID83054107
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
SMILESCCCC(CNCC)N(CC)CC(CC)CC
InChIInChI=1S/C15H34N2/c1-6-11-15(12-16-9-4)17(10-5)13-14(7-2)8-3/h14-16H,6-13H2,1-5H3
InChIKeyULPKJASYGYRULT-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-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

Related Compounds

1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
1-N,4-N-diethyl-4-N-(2-ethylbutyl)pentane-1,4-diamine
CID 62435358
2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxy-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103226048
2-N-ethyl-2-N-(2-ethylbutyl)-1-N-(3-methylbutyl)propane-1,2-diamine
CID 55197020
2-N-cyclopropyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83054723
2-N,2-N-bis(2-ethoxyethyl)-1-N-ethylpentane-1,2-diamine
CID 83046420
3-N-ethyl-3-N-(2-ethylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 63492427
1-N-ethyl-2-N-fluoro-2-N-propylpentane-1,2-diamine
CID 162382785
1-N-ethyl-2-N-methyl-2-N-pentan-2-ylbutane-1,2-diamine
CID 62432362
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine (CID 83054107) is 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine is CCCC(CNCC)N(CC)CC(CC)CC.
What is the InChIKey of 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine?
The InChIKey is ULPKJASYGYRULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-11-15(12-16-9-4)17(10-5)13-14(7-2)8-3/h14-16H,6-13H2,1-5H3.
What are the key properties of 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine?
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 83054107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).