(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine

C9H16N2 — CID 129093780

IUPAC(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
SMILESC=N/N=C(\C=C/C)CC(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(11-10-4)7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5-,11-9+
InChIKeyWTDBOBGDJOCFCE-QEYVUMQQSA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds4

About (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine

(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine (PubChem CID 129093780) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine.

Molecular Properties

Compound Name(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
PubChem CID129093780
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
SMILESC=N/N=C(\C=C/C)CC(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(11-10-4)7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5-,11-9+
InChIKeyWTDBOBGDJOCFCE-QEYVUMQQSA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(Z)-6-methylhept-2-en-4-ylidene]carbamate
CID 91281029
6-methylhept-2-en-4-one
CID 54395514
(Z)-6-methylhept-2-en-4-imine
CID 91390862
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
N-(3-ethylidene-5-methylhexyl)methanimine
CID 90954113
4-ethylidene-2,6-dimethylheptane
CID 102206987
(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
CID 166995370
(3Z,5Z)-5-ethylidene-2,7-dimethylocta-1,3-diene
CID 143472729
N'-ethenyl-3-methyl-N-methylidenebutanimidamide
CID 178151525
N-[(Z)-4-methyl-1-methylsulfanylpent-1-en-2-yl]methanimine
CID 139299399
(3Z)-N,N-bis(2-methylpropyl)penta-1,3-dien-2-amine
CID 130331308
(2Z,4E,6E)-4-methoxy-7,9-dimethyldeca-2,4,6-triene
CID 88961780

Frequently Asked Questions

What is the IUPAC name of (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine?
The IUPAC name of (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine (CID 129093780) is (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine.
What is the SMILES notation for (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine?
The canonical SMILES for (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine is C=N/N=C(\C=C/C)CC(C)C.
What is the InChIKey of (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine?
The InChIKey is WTDBOBGDJOCFCE-QEYVUMQQSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-9(11-10-4)7-8(2)3/h5-6,8H,4,7H2,1-3H3/b6-5-,11-9+.
What are the key properties of (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine?
(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine has a molecular weight of 152.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine is sourced from PubChem (CID 129093780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).