N-methylcyclohexa-2,4-dien-1-imine

C7H9N — CID 14398595

IUPACN-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1/C=CC=CC1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-5H,6H2,1H3/b8-7-
InChIKeyTZLSECZQPBJVQZ-FPLPWBNLSA-N
MW107.16 g/mol
LogP1.57
Rot. Bonds

About N-methylcyclohexa-2,4-dien-1-imine

N-methylcyclohexa-2,4-dien-1-imine (PubChem CID 14398595) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is N-methylcyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound NameN-methylcyclohexa-2,4-dien-1-imine
PubChem CID14398595
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC NameN-methylcyclohexa-2,4-dien-1-imine
SMILESC/N=C1/C=CC=CC1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-5H,6H2,1H3/b8-7-
InChIKeyTZLSECZQPBJVQZ-FPLPWBNLSA-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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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexa-2,4-dien-1-imine?
The IUPAC name of N-methylcyclohexa-2,4-dien-1-imine (CID 14398595) is N-methylcyclohexa-2,4-dien-1-imine.
What is the SMILES notation for N-methylcyclohexa-2,4-dien-1-imine?
The canonical SMILES for N-methylcyclohexa-2,4-dien-1-imine is C/N=C1/C=CC=CC1.
What is the InChIKey of N-methylcyclohexa-2,4-dien-1-imine?
The InChIKey is TZLSECZQPBJVQZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-5H,6H2,1H3/b8-7-.
What are the key properties of N-methylcyclohexa-2,4-dien-1-imine?
N-methylcyclohexa-2,4-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-2,4-dien-1-imine is sourced from PubChem (CID 14398595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).