1-N-ethyl-4-methylpentane-1,2-diamine

C8H20N2 — CID 57134387

IUPAC1-N-ethyl-4-methylpentane-1,2-diamine
SMILESCCNCC(N)CC(C)C
InChIInChI=1S/C8H20N2/c1-4-10-6-8(9)5-7(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySTHNCRSNHHDYTL-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds5

About 1-N-ethyl-4-methylpentane-1,2-diamine

1-N-ethyl-4-methylpentane-1,2-diamine (PubChem CID 57134387) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N-ethyl-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-methylpentane-1,2-diamine
PubChem CID57134387
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N-ethyl-4-methylpentane-1,2-diamine
SMILESCCNCC(N)CC(C)C
InChIInChI=1S/C8H20N2/c1-4-10-6-8(9)5-7(2)3/h7-8,10H,4-6,9H2,1-3H3
InChIKeySTHNCRSNHHDYTL-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-ethyl-4-methylpentane-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 1-N-ethyl-4-methylpentane-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-methylpentane-1,2-diamine (CID 57134387) is 1-N-ethyl-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-methylpentane-1,2-diamine is CCNCC(N)CC(C)C.
What is the InChIKey of 1-N-ethyl-4-methylpentane-1,2-diamine?
The InChIKey is STHNCRSNHHDYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-10-6-8(9)5-7(2)3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-N-ethyl-4-methylpentane-1,2-diamine?
1-N-ethyl-4-methylpentane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-methylpentane-1,2-diamine is sourced from PubChem (CID 57134387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).