N,N'-bis(prop-2-enyl)propane-1,3-diamine

C9H18N2 — CID 10630734

IUPACN,N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCNCCCNCC=C
InChIInChI=1S/C9H18N2/c1-3-6-10-8-5-9-11-7-4-2/h3-4,10-11H,1-2,5-9H2
InChIKeyAXZLGJYOBMKFHV-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.93
Rot. Bonds8

About N,N'-bis(prop-2-enyl)propane-1,3-diamine

N,N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 10630734) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N,N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID10630734
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN,N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCNCCCNCC=C
InChIInChI=1S/C9H18N2/c1-3-6-10-8-5-9-11-7-4-2/h3-4,10-11H,1-2,5-9H2
InChIKeyAXZLGJYOBMKFHV-UHFFFAOYSA-N
XLogP0.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.93
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,N'-bis(prop-2-enyl)propane-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,N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(prop-2-enyl)propane-1,3-diamine (CID 10630734) is N,N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCNCCCNCC=C.
What is the InChIKey of N,N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is AXZLGJYOBMKFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-6-10-8-5-9-11-7-4-2/h3-4,10-11H,1-2,5-9H2.
What are the key properties of N,N'-bis(prop-2-enyl)propane-1,3-diamine?
N,N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 10630734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).