(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

C9H15N — CID 87199513

IUPAC(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C)CNC
InChIInChI=1S/C9H15N/c1-4-6-9(7-5-2)8-10-3/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+
InChIKeyYKCDOIDVOQNJOK-XCZNYUDNSA-N
MW137.23 g/mol
LogP1.89
Rot. Bonds4

About (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine

(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (PubChem CID 87199513) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
PubChem CID87199513
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine
SMILESC=C/C=C(\C=C/C)CNC
InChIInChI=1S/C9H15N/c1-4-6-9(7-5-2)8-10-3/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+
InChIKeyYKCDOIDVOQNJOK-XCZNYUDNSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine 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 (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine (CID 87199513) is (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is C=C/C=C(\C=C/C)CNC.
What is the InChIKey of (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
The InChIKey is YKCDOIDVOQNJOK-XCZNYUDNSA-N. The full InChI is InChI=1S/C9H15N/c1-4-6-9(7-5-2)8-10-3/h4-7,10H,1,8H2,2-3H3/b7-5-,9-6+.
What are the key properties of (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine?
(2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-amine is sourced from PubChem (CID 87199513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).