(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine

C12H17N — CID 89033543

IUPAC(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
SMILESCC(=C)C(=C)/C=C(/C=C)\C(=NC)C
InChIInChI=1S/C12H17N/c1-7-12(11(5)13-6)8-10(4)9(2)3/h7-8H,1-2,4H2,3,5-6H3/b12-8-,13-11?
InChIKeyCDFFFNVCQRJBSH-ALBCOIBJSA-N
MW175.27 g/mol
LogP3.80
Rot. Bonds4

About (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine

(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine (PubChem CID 89033543) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
PubChem CID89033543
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine
SMILESCC(=C)C(=C)/C=C(/C=C)\C(=NC)C
InChIInChI=1S/C12H17N/c1-7-12(11(5)13-6)8-10(4)9(2)3/h7-8H,1-2,4H2,3,5-6H3/b12-8-,13-11?
InChIKeyCDFFFNVCQRJBSH-ALBCOIBJSA-N
XLogP3.80
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-Methyl-2,3-dihydroquinoline
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(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
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(3E,4E)-3-ethylidene-N-methyl-5-(trifluoromethyl)hepta-4,6-dien-2-imine
CID 135190182
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
5-[(2Z,4E)-4-fluorohexa-2,4-dienyl]-3-methyl-2H-pyrrole
CID 143331085
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine?
The IUPAC name of (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine (CID 89033543) is (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine.
What is the SMILES notation for (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine?
The canonical SMILES for (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine is CC(=C)C(=C)/C=C(/C=C)\C(=NC)C.
What is the InChIKey of (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine?
The InChIKey is CDFFFNVCQRJBSH-ALBCOIBJSA-N. The full InChI is InChI=1S/C12H17N/c1-7-12(11(5)13-6)8-10(4)9(2)3/h7-8H,1-2,4H2,3,5-6H3/b12-8-,13-11?.
What are the key properties of (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine?
(3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine has a molecular weight of 175.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N,6-dimethyl-5-methylidenehepta-3,6-dien-2-imine is sourced from PubChem (CID 89033543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).