(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine

C8H12N2 — CID 166548421

IUPAC(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine
SMILESCCC#CC(=C/N)/C=N/C
InChIInChI=1S/C8H12N2/c1-3-4-5-8(6-9)7-10-2/h6-7H,3,9H2,1-2H3/b8-6-,10-7+
InChIKeyKUPUOTNMDNBJPM-GOOBONSCSA-N
MW136.20 g/mol
LogP0.94
Rot. Bonds1

About (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine

(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine (PubChem CID 166548421) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine.

Molecular Properties

Compound Name(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine
PubChem CID166548421
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine
SMILESCCC#CC(=C/N)/C=N/C
InChIInChI=1S/C8H12N2/c1-3-4-5-8(6-9)7-10-2/h6-7H,3,9H2,1-2H3/b8-6-,10-7+
InChIKeyKUPUOTNMDNBJPM-GOOBONSCSA-N
XLogP0.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-(methyliminomethyl)hex-1-en-3-yn-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 (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine?
The IUPAC name of (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine (CID 166548421) is (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine.
What is the SMILES notation for (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine?
The canonical SMILES for (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine is CCC#CC(=C/N)/C=N/C.
What is the InChIKey of (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine?
The InChIKey is KUPUOTNMDNBJPM-GOOBONSCSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-5-8(6-9)7-10-2/h6-7H,3,9H2,1-2H3/b8-6-,10-7+.
What are the key properties of (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine?
(Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine has a molecular weight of 136.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methyliminomethyl)hex-1-en-3-yn-1-amine is sourced from PubChem (CID 166548421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).