N-methylhexa-3,5-dien-2-imine

C7H11N — CID 91557024

IUPACN-methylhexa-3,5-dien-2-imine
SMILESC=CC=C/C(C)=N/C
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,1H2,2-3H3/b6-5?,8-7+
InChIKeyNVOPWRWVOHILGN-GCSGCOTJSA-N
MW109.17 g/mol
LogP1.82
Rot. Bonds2

About N-methylhexa-3,5-dien-2-imine

N-methylhexa-3,5-dien-2-imine (PubChem CID 91557024) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound NameN-methylhexa-3,5-dien-2-imine
PubChem CID91557024
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-methylhexa-3,5-dien-2-imine
SMILESC=CC=C/C(C)=N/C
InChIInChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,1H2,2-3H3/b6-5?,8-7+
InChIKeyNVOPWRWVOHILGN-GCSGCOTJSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.82
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
4-fluoro-7-methyl-2H-azepine
CID 131982638
(3Z,5E)-1,1,1-trifluoro-N-methylhepta-3,5-dien-2-imine
CID 142438463
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942
(3Z)-5-fluoro-N-methylhexa-3,5-dien-2-imine
CID 144596580
(3Z)-1,1,1-trifluoro-N-methylhexa-3,5-dien-2-imine
CID 145207763
(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine
CID 145298088
6-fluoro-7-methyl-2H-azepine
CID 156570277
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749

Frequently Asked Questions

What is the IUPAC name of N-methylhexa-3,5-dien-2-imine?
The IUPAC name of N-methylhexa-3,5-dien-2-imine (CID 91557024) is N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for N-methylhexa-3,5-dien-2-imine is C=CC=C/C(C)=N/C.
What is the InChIKey of N-methylhexa-3,5-dien-2-imine?
The InChIKey is NVOPWRWVOHILGN-GCSGCOTJSA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-6-7(2)8-3/h4-6H,1H2,2-3H3/b6-5?,8-7+.
What are the key properties of N-methylhexa-3,5-dien-2-imine?
N-methylhexa-3,5-dien-2-imine has a molecular weight of 109.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 91557024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).