(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine

C10H15N — CID 88576597

IUPAC(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
SMILESC=C/C(C)=C\C(C)=N\C(=C)C
InChIInChI=1S/C10H15N/c1-6-9(4)7-10(5)11-8(2)3/h6-7H,1-2H2,3-5H3/b9-7-,11-10+
InChIKeyXFBGSNPFQIEXKN-NKTIYDDZSA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine

(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine (PubChem CID 88576597) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
PubChem CID88576597
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine
SMILESC=C/C(C)=C\C(C)=N\C(=C)C
InChIInChI=1S/C10H15N/c1-6-9(4)7-10(5)11-8(2)3/h6-7H,1-2H2,3-5H3/b9-7-,11-10+
InChIKeyXFBGSNPFQIEXKN-NKTIYDDZSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
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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CID 21672375
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CID 91217586
2-Fluoro-5,10-dimethylideneazecine
CID 131966070
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
(2Z)-2-(1-fluoroprop-2-enylidene)-6-methyl-3-methylidenepyridine
CID 145600919
(3Z,5Z)-5-methyl-N-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)hepta-3,5-dien-2-imine
CID 156649093
(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine
CID 166648532
(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
CID 174097154
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
2,4,6-Trimethyl-1-azacyclohepta-2,4,6,7-tetraene
CID 71347975
4-Lutidyllithium
CID 129669650

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine (CID 88576597) is (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine is C=C/C(C)=C\C(C)=N\C(=C)C.
What is the InChIKey of (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine?
The InChIKey is XFBGSNPFQIEXKN-NKTIYDDZSA-N. The full InChI is InChI=1S/C10H15N/c1-6-9(4)7-10(5)11-8(2)3/h6-7H,1-2H2,3-5H3/b9-7-,11-10+.
What are the key properties of (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine?
(3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methyl-N-prop-1-en-2-ylhexa-3,5-dien-2-imine is sourced from PubChem (CID 88576597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).