(Z)-3-methanimidoylhept-2-en-2-amine

C8H16N2 — CID 89142772

IUPAC(Z)-3-methanimidoylhept-2-en-2-amine
SMILES[H]/N=C/C(CCCC)=C(/C)N
InChIInChI=1S/C8H16N2/c1-3-4-5-8(6-9)7(2)10/h6,9H,3-5,10H2,1-2H3/b8-7-,9-6+
InChIKeyMUOWUIARZAGGRI-SOKJVCRVSA-N
MW140.23 g/mol
LogP2.06
Rot. Bonds4

About (Z)-3-methanimidoylhept-2-en-2-amine

(Z)-3-methanimidoylhept-2-en-2-amine (PubChem CID 89142772) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z)-3-methanimidoylhept-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3-methanimidoylhept-2-en-2-amine
PubChem CID89142772
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z)-3-methanimidoylhept-2-en-2-amine
SMILES[H]/N=C/C(CCCC)=C(/C)N
InChIInChI=1S/C8H16N2/c1-3-4-5-8(6-9)7(2)10/h6,9H,3-5,10H2,1-2H3/b8-7-,9-6+
InChIKeyMUOWUIARZAGGRI-SOKJVCRVSA-N
XLogP2.06
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-methanimidoylhept-2-en-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 (Z)-3-methanimidoylhept-2-en-2-amine?
The IUPAC name of (Z)-3-methanimidoylhept-2-en-2-amine (CID 89142772) is (Z)-3-methanimidoylhept-2-en-2-amine.
What is the SMILES notation for (Z)-3-methanimidoylhept-2-en-2-amine?
The canonical SMILES for (Z)-3-methanimidoylhept-2-en-2-amine is [H]/N=C/C(CCCC)=C(/C)N.
What is the InChIKey of (Z)-3-methanimidoylhept-2-en-2-amine?
The InChIKey is MUOWUIARZAGGRI-SOKJVCRVSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-4-5-8(6-9)7(2)10/h6,9H,3-5,10H2,1-2H3/b8-7-,9-6+.
What are the key properties of (Z)-3-methanimidoylhept-2-en-2-amine?
(Z)-3-methanimidoylhept-2-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methanimidoylhept-2-en-2-amine is sourced from PubChem (CID 89142772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).