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

C9H18N2 — CID 87708331

IUPAC1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine
SMILESC=CCNC(CC)NCC=C
InChIInChI=1S/C9H18N2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyGMSWLKSCNZWBBV-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.27
Rot. Bonds7

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

1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine (PubChem CID 87708331) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine
PubChem CID87708331
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine
SMILESC=CCNC(CC)NCC=C
InChIInChI=1S/C9H18N2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3
InChIKeyGMSWLKSCNZWBBV-UHFFFAOYSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N,1-N'-bis(prop-2-enyl)propane-1,1-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'-bis(prop-2-enyl)propane-1,1-diamine?
The IUPAC name of 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine (CID 87708331) is 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine is C=CCNC(CC)NCC=C.
What is the InChIKey of 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine?
The InChIKey is GMSWLKSCNZWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-7-10-9(6-3)11-8-5-2/h4-5,9-11H,1-2,6-8H2,3H3.
What are the key properties of 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine?
1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-bis(prop-2-enyl)propane-1,1-diamine is sourced from PubChem (CID 87708331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).