N-methylhepta-2,4,6-trien-1-imine

C8H11N — CID 54148857

IUPACN-methylhepta-2,4,6-trien-1-imine
SMILESC=CC=CC=C/C=N/C
InChIInChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-8H,1H2,2H3/b5-4?,7-6?,9-8+
InChIKeyOGHYHJYXXLTSTF-CCVLJSRQSA-N
MW121.18 g/mol
LogP1.99
Rot. Bonds3

About N-methylhepta-2,4,6-trien-1-imine

N-methylhepta-2,4,6-trien-1-imine (PubChem CID 54148857) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-methylhepta-2,4,6-trien-1-imine.

Molecular Properties

Compound NameN-methylhepta-2,4,6-trien-1-imine
PubChem CID54148857
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-methylhepta-2,4,6-trien-1-imine
SMILESC=CC=CC=C/C=N/C
InChIInChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-8H,1H2,2H3/b5-4?,7-6?,9-8+
InChIKeyOGHYHJYXXLTSTF-CCVLJSRQSA-N
XLogP1.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.99
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

cyclohexane;(2Z)-N-methylpenta-2,4-dien-1-imine
CID 144794255
(2E,4E,6E)-N,3-dimethylnona-2,4,6,8-tetraen-1-imine
CID 102196046
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
(2E,4E)-N-ethenylhepta-2,4,6-trien-1-imine
CID 163564879
ethane;(2Z)-N-ethenylpenta-2,4-dien-1-imine
CID 142114329
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
methane;N-methyl-7-methyliminohepta-1,3,5-trien-1-amine
CID 158738891
(3Z,5Z,7Z)-nona-1,3,5,7-tetraene
CID 142107370
pentahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103-dopentacontaene
CID 90936747
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontaene
CID 90694623
pentacosahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123-dohexacontaene
CID 91034830

Frequently Asked Questions

What is the IUPAC name of N-methylhepta-2,4,6-trien-1-imine?
The IUPAC name of N-methylhepta-2,4,6-trien-1-imine (CID 54148857) is N-methylhepta-2,4,6-trien-1-imine.
What is the SMILES notation for N-methylhepta-2,4,6-trien-1-imine?
The canonical SMILES for N-methylhepta-2,4,6-trien-1-imine is C=CC=CC=C/C=N/C.
What is the InChIKey of N-methylhepta-2,4,6-trien-1-imine?
The InChIKey is OGHYHJYXXLTSTF-CCVLJSRQSA-N. The full InChI is InChI=1S/C8H11N/c1-3-4-5-6-7-8-9-2/h3-8H,1H2,2H3/b5-4?,7-6?,9-8+.
What are the key properties of N-methylhepta-2,4,6-trien-1-imine?
N-methylhepta-2,4,6-trien-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhepta-2,4,6-trien-1-imine is sourced from PubChem (CID 54148857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).