(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine

C11H17N — CID 166837090

IUPAC(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
SMILES[H]/N=C/C(C/C(C)=C/C=C)=C(C)C
InChIInChI=1S/C11H17N/c1-5-6-10(4)7-11(8-12)9(2)3/h5-6,8,12H,1,7H2,2-4H3/b10-6+,12-8+
InChIKeyCMQZHQZORKRBGX-ANGAUAEMSA-N
MW163.26 g/mol
LogP3.49
Rot. Bonds4

About (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine

(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine (PubChem CID 166837090) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
PubChem CID166837090
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine
SMILES[H]/N=C/C(C/C(C)=C/C=C)=C(C)C
InChIInChI=1S/C11H17N/c1-5-6-10(4)7-11(8-12)9(2)3/h5-6,8,12H,1,7H2,2-4H3/b10-6+,12-8+
InChIKeyCMQZHQZORKRBGX-ANGAUAEMSA-N
XLogP3.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-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

4,6-dimethylocta-1,3,6-triene
CID 59970849
(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
CID 123322065
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(4Z,6E)-4-N-butan-2-ylidene-5,6-dimethyl-2-methylidenenona-4,6,8-triene-1,4-diimine
CID 155058757
(3E,5E)-5-methanimidoyl-N-methylhepta-1,3,5-trien-4-amine
CID 144786516
ethane;methane;(2Z)-2-propan-2-ylpenta-2,4-dien-1-imine
CID 178156046
3-methanimidoylpent-2-en-2-amine
CID 173477121
ethane;(3Z,6Z)-4-methylnona-1,3,6,8-tetraene
CID 142891665
(3E)-4-methyl-5-methylsulfanylpenta-1,3-diene
CID 142226074
methanimine;2-methylprop-2-en-1-imine
CID 145055297
(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
CID 156548781
(E)-3-methyl-2-propylpent-2-en-1-imine
CID 177362543

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine?
The IUPAC name of (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine (CID 166837090) is (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine.
What is the SMILES notation for (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine?
The canonical SMILES for (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine is [H]/N=C/C(C/C(C)=C/C=C)=C(C)C.
What is the InChIKey of (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine?
The InChIKey is CMQZHQZORKRBGX-ANGAUAEMSA-N. The full InChI is InChI=1S/C11H17N/c1-5-6-10(4)7-11(8-12)9(2)3/h5-6,8,12H,1,7H2,2-4H3/b10-6+,12-8+.
What are the key properties of (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine?
(4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methyl-2-propan-2-ylidenehepta-4,6-dien-1-imine is sourced from PubChem (CID 166837090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).