5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine

C12H17N — CID 123158952

IUPAC5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine
SMILESC=CCC=C/N=C(\C)C=CC(=C)C
InChIInChI=1S/C12H17N/c1-5-6-7-10-13-12(4)9-8-11(2)3/h5,7-10H,1-2,6H2,3-4H3/b9-8?,10-7?,13-12+
InChIKeyQUYOXBKMPAMSLW-DOZFICAASA-N
MW175.27 g/mol
LogP3.67
Rot. Bonds5

About 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine

5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine (PubChem CID 123158952) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine
PubChem CID123158952
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine
SMILESC=CCC=C/N=C(\C)C=CC(=C)C
InChIInChI=1S/C12H17N/c1-5-6-7-10-13-12(4)9-8-11(2)3/h5,7-10H,1-2,6H2,3-4H3/b9-8?,10-7?,13-12+
InChIKeyQUYOXBKMPAMSLW-DOZFICAASA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1-Benzazocine
CID 17846319
6-[(E)-1-fluoroprop-1-enyl]-5,7-dimethyl-4H-azepine
CID 144030424
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
(1E)-N-ethenyl-1-(4-fluorocyclohexa-2,4-dien-1-ylidene)propan-2-imine
CID 155181207
(3Z)-N-ethenyl-4-ethyl-3-fluorohepta-3,5,6-trien-2-imine
CID 166976493
(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
CID 166976514
(3Z,5E)-N-[(E)-2,3-dimethylbut-1-enyl]-5-fluorohepta-3,5-dien-2-imine
CID 170081889
(3E,5Z)-3-fluoro-5-methyl-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 172361995
(Z)-N-[(1E,3E)-1-fluoro-4-methylhexa-1,3,5-trienyl]pent-3-en-2-imine
CID 174097154
(3E)-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hexa-3,5-dien-2-imine
CID 176921225
2,5-dimethyl-3H-azepine
CID 11819081
Benz[b]azocine
CID 23636810

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine?
The IUPAC name of 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine (CID 123158952) is 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine.
What is the SMILES notation for 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine?
The canonical SMILES for 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine is C=CCC=C/N=C(\C)C=CC(=C)C.
What is the InChIKey of 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine?
The InChIKey is QUYOXBKMPAMSLW-DOZFICAASA-N. The full InChI is InChI=1S/C12H17N/c1-5-6-7-10-13-12(4)9-8-11(2)3/h5,7-10H,1-2,6H2,3-4H3/b9-8?,10-7?,13-12+.
What are the key properties of 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine?
5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine has a molecular weight of 175.27 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-penta-1,4-dienylhexa-3,5-dien-2-imine is sourced from PubChem (CID 123158952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).