(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine

C10H18N2 — CID 134485431

IUPAC(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
SMILESC=C(/C=C(C)\C=N\C)CCCN
InChIInChI=1S/C10H18N2/c1-9(5-4-6-11)7-10(2)8-12-3/h7-8H,1,4-6,11H2,2-3H3/b10-7-,12-8+
InChIKeyQHPBIFWXSAMXLT-MITUOZDPSA-N
MW166.27 g/mol
LogP1.93
Rot. Bonds5

About (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine

(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine (PubChem CID 134485431) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
PubChem CID134485431
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
SMILESC=C(/C=C(C)\C=N\C)CCCN
InChIInChI=1S/C10H18N2/c1-9(5-4-6-11)7-10(2)8-12-3/h7-8H,1,4-6,11H2,2-3H3/b10-7-,12-8+
InChIKeyQHPBIFWXSAMXLT-MITUOZDPSA-N
XLogP1.93
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.93
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 (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-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)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine?
The IUPAC name of (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine (CID 134485431) is (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine.
What is the SMILES notation for (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine?
The canonical SMILES for (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine is C=C(/C=C(C)\C=N\C)CCCN.
What is the InChIKey of (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine?
The InChIKey is QHPBIFWXSAMXLT-MITUOZDPSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(5-4-6-11)7-10(2)8-12-3/h7-8H,1,4-6,11H2,2-3H3/b10-7-,12-8+.
What are the key properties of (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine?
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine is sourced from PubChem (CID 134485431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).