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

C9H22N2 — CID 43650397

IUPAC1-N,1-N-diethylpentane-1,2-diamine
SMILESCCCC(N)CN(CC)CC
InChIInChI=1S/C9H22N2/c1-4-7-9(10)8-11(5-2)6-3/h9H,4-8,10H2,1-3H3
InChIKeyCRTUYXVAUFNNSU-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.46
Rot. Bonds6

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

1-N,1-N-diethylpentane-1,2-diamine (PubChem CID 43650397) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 1-N,1-N-diethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethylpentane-1,2-diamine
PubChem CID43650397
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name1-N,1-N-diethylpentane-1,2-diamine
SMILESCCCC(N)CN(CC)CC
InChIInChI=1S/C9H22N2/c1-4-7-9(10)8-11(5-2)6-3/h9H,4-8,10H2,1-3H3
InChIKeyCRTUYXVAUFNNSU-UHFFFAOYSA-N
XLogP1.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N,1-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 1-N,1-N-diethylpentane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethylpentane-1,2-diamine (CID 43650397) is 1-N,1-N-diethylpentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethylpentane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethylpentane-1,2-diamine is CCCC(N)CN(CC)CC.
What is the InChIKey of 1-N,1-N-diethylpentane-1,2-diamine?
The InChIKey is CRTUYXVAUFNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-7-9(10)8-11(5-2)6-3/h9H,4-8,10H2,1-3H3.
What are the key properties of 1-N,1-N-diethylpentane-1,2-diamine?
1-N,1-N-diethylpentane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethylpentane-1,2-diamine is sourced from PubChem (CID 43650397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).