(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine

C6H10N2 — CID 142097625

IUPAC(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(N)\C=C/C
InChIInChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5+
InChIKeyNIQFRIHACQPXSY-DNVGVPOPSA-N
MW110.16 g/mol
LogP1.06
Rot. Bonds2

About (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine

(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine (PubChem CID 142097625) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine
PubChem CID142097625
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine
SMILESC=N/C=C(N)\C=C/C
InChIInChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5+
InChIKeyNIQFRIHACQPXSY-DNVGVPOPSA-N
XLogP1.06
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-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 (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine?
The IUPAC name of (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine (CID 142097625) is (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine.
What is the SMILES notation for (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine?
The canonical SMILES for (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine is C=N/C=C(N)\C=C/C.
What is the InChIKey of (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine?
The InChIKey is NIQFRIHACQPXSY-DNVGVPOPSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-6(7)5-8-2/h3-5H,2,7H2,1H3/b4-3-,6-5+.
What are the key properties of (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine?
(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine has a molecular weight of 110.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-amine is sourced from PubChem (CID 142097625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).