(2E,5Z)-N-methylocta-2,5,7-trien-4-imine

C9H13N — CID 91455385

IUPAC(2E,5Z)-N-methylocta-2,5,7-trien-4-imine
SMILESC=C/C=C\C(\C=C\C)=N\C
InChIInChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1H2,2-3H3/b7-5+,8-6-,10-9+
InChIKeyPSWGGKQNHOJOTR-USGXHADVSA-N
MW135.21 g/mol
LogP2.38
Rot. Bonds3

About (2E,5Z)-N-methylocta-2,5,7-trien-4-imine

(2E,5Z)-N-methylocta-2,5,7-trien-4-imine (PubChem CID 91455385) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (2E,5Z)-N-methylocta-2,5,7-trien-4-imine.

Molecular Properties

Compound Name(2E,5Z)-N-methylocta-2,5,7-trien-4-imine
PubChem CID91455385
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(2E,5Z)-N-methylocta-2,5,7-trien-4-imine
SMILESC=C/C=C\C(\C=C\C)=N\C
InChIInChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1H2,2-3H3/b7-5+,8-6-,10-9+
InChIKeyPSWGGKQNHOJOTR-USGXHADVSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.38
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

(2S)-2,7-dimethyl-2H-azepine
CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
Dimethyl 1,4-benzoquinone diimine
CID 18730289
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677
4-fluoro-7-methyl-2H-azepine
CID 131982638
(3Z)-1,1,1-trifluoro-N,5-dimethylhexa-3,5-dien-2-imine
CID 137506692
(3Z)-N-methyl-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 141939133
(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
CID 142438463
2-Fluoro-2,7-dimethylazepine
CID 144270478
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-N-methylocta-2,5,7-trien-4-imine?
The IUPAC name of (2E,5Z)-N-methylocta-2,5,7-trien-4-imine (CID 91455385) is (2E,5Z)-N-methylocta-2,5,7-trien-4-imine.
What is the SMILES notation for (2E,5Z)-N-methylocta-2,5,7-trien-4-imine?
The canonical SMILES for (2E,5Z)-N-methylocta-2,5,7-trien-4-imine is C=C/C=C\C(\C=C\C)=N\C.
What is the InChIKey of (2E,5Z)-N-methylocta-2,5,7-trien-4-imine?
The InChIKey is PSWGGKQNHOJOTR-USGXHADVSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-8-9(10-3)7-5-2/h4-8H,1H2,2-3H3/b7-5+,8-6-,10-9+.
What are the key properties of (2E,5Z)-N-methylocta-2,5,7-trien-4-imine?
(2E,5Z)-N-methylocta-2,5,7-trien-4-imine has a molecular weight of 135.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-N-methylocta-2,5,7-trien-4-imine is sourced from PubChem (CID 91455385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).