N'-hex-5-enylpropane-1,3-diamine

C9H20N2 — CID 15457839

IUPACN'-hex-5-enylpropane-1,3-diamine
SMILESC=CCCCCNCCCN
InChIInChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-10H2
InChIKeyAZFYMQQSOMKSAO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.28
Rot. Bonds8

About N'-hex-5-enylpropane-1,3-diamine

N'-hex-5-enylpropane-1,3-diamine (PubChem CID 15457839) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-hex-5-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-hex-5-enylpropane-1,3-diamine
PubChem CID15457839
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-hex-5-enylpropane-1,3-diamine
SMILESC=CCCCCNCCCN
InChIInChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-10H2
InChIKeyAZFYMQQSOMKSAO-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-hex-5-enylpropane-1,3-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'-hex-5-enylpropane-1,3-diamine?
The IUPAC name of N'-hex-5-enylpropane-1,3-diamine (CID 15457839) is N'-hex-5-enylpropane-1,3-diamine.
What is the SMILES notation for N'-hex-5-enylpropane-1,3-diamine?
The canonical SMILES for N'-hex-5-enylpropane-1,3-diamine is C=CCCCCNCCCN.
What is the InChIKey of N'-hex-5-enylpropane-1,3-diamine?
The InChIKey is AZFYMQQSOMKSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-5-8-11-9-6-7-10/h2,11H,1,3-10H2.
What are the key properties of N'-hex-5-enylpropane-1,3-diamine?
N'-hex-5-enylpropane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hex-5-enylpropane-1,3-diamine is sourced from PubChem (CID 15457839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).