N-methylcyclohexa-2,5-dien-1-imine

C7H9N — CID 20614487

IUPACN-methylcyclohexa-2,5-dien-1-imine
SMILESCN=C1C=CCC=C1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3
InChIKeyJPKBARLNEVYIAP-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds

About N-methylcyclohexa-2,5-dien-1-imine

N-methylcyclohexa-2,5-dien-1-imine (PubChem CID 20614487) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-methylcyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound NameN-methylcyclohexa-2,5-dien-1-imine
PubChem CID20614487
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-methylcyclohexa-2,5-dien-1-imine
SMILESCN=C1C=CCC=C1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3
InChIKeyJPKBARLNEVYIAP-UHFFFAOYSA-N
XLogP1.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2H-pyrrole
CID 12554804
Dimethyl 1,4-benzoquinone diimine
CID 18730289
2,5-Dimethyl-2H-pyrrole
CID 21811124
3Hlutidine
CID 54235887
6-Ethyl-2,3-dihydropyridine
CID 58693567
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexa-2,5-dien-1-imine?
The IUPAC name of N-methylcyclohexa-2,5-dien-1-imine (CID 20614487) is N-methylcyclohexa-2,5-dien-1-imine.
What is the SMILES notation for N-methylcyclohexa-2,5-dien-1-imine?
The canonical SMILES for N-methylcyclohexa-2,5-dien-1-imine is CN=C1C=CCC=C1.
What is the InChIKey of N-methylcyclohexa-2,5-dien-1-imine?
The InChIKey is JPKBARLNEVYIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h3-6H,2H2,1H3.
What are the key properties of N-methylcyclohexa-2,5-dien-1-imine?
N-methylcyclohexa-2,5-dien-1-imine has a molecular weight of 107.16 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 20614487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).