N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine

C12H25N3 — CID 134394951

IUPACN-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine
SMILESC=CCCC(CN/C=C\N)CNC(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-12(9-14-8-7-13)10-15-11(2)3/h4,7-8,11-12,14-15H,1,5-6,9-10,13H2,2-3H3/b8-7-
InChIKeyQPVJSVBXWZFZND-FPLPWBNLSA-N
MW211.35 g/mol
LogP1.59
Rot. Bonds9

About N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine

N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 134394951) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID134394951
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine
SMILESC=CCCC(CN/C=C\N)CNC(C)C
InChIInChI=1S/C12H25N3/c1-4-5-6-12(9-14-8-7-13)10-15-11(2)3/h4,7-8,11-12,14-15H,1,5-6,9-10,13H2,2-3H3/b8-7-
InChIKeyQPVJSVBXWZFZND-FPLPWBNLSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-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-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine (CID 134394951) is N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine is C=CCCC(CN/C=C\N)CNC(C)C.
What is the InChIKey of N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is QPVJSVBXWZFZND-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-5-6-12(9-14-8-7-13)10-15-11(2)3/h4,7-8,11-12,14-15H,1,5-6,9-10,13H2,2-3H3/b8-7-.
What are the key properties of N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 211.35 g/mol, XLogP of 1.59, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-aminoethenyl]-2-but-3-enyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 134394951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).