N-methylcyclohex-3-en-1-imine

C7H11N — CID 56975694

IUPACN-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CC=CCC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3/b8-7+
InChIKeySTDGZPXFVFUQNX-BQYQJAHWSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds

About N-methylcyclohex-3-en-1-imine

N-methylcyclohex-3-en-1-imine (PubChem CID 56975694) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-methylcyclohex-3-en-1-imine.

Molecular Properties

Compound NameN-methylcyclohex-3-en-1-imine
PubChem CID56975694
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-methylcyclohex-3-en-1-imine
SMILESC/N=C1\CC=CCC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3/b8-7+
InChIKeySTDGZPXFVFUQNX-BQYQJAHWSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.80
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'}

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Related Compounds

N-ethylcyclohex-3-en-1-imine
CID 123229334
N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
CID 123250682
cyclooct-4-en-1-ylidenehydrazine
CID 90766508
N-cyclopent-3-en-1-ylidenehydroxylamine
CID 156766450
4-cyclohexylidenecyclohexene
CID 174411361
1,2-dimethoxycycloocta-1,5-diene
CID 57217200
N,4-dimethylcyclohexan-1-imine
CID 20656382
(E)-N-methoxycyclopent-2-en-1-imine
CID 89026558
4-methylidenecycloheptene
CID 57195729
2-ethyl-8,9-dihydro-5H-benzo[7]annulene
CID 139900760
4-ethylidenecyclononene
CID 54322252
(2E)-2-cyclohex-3-en-1-ylideneacetic acid
CID 55302338

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohex-3-en-1-imine?
The IUPAC name of N-methylcyclohex-3-en-1-imine (CID 56975694) is N-methylcyclohex-3-en-1-imine.
What is the SMILES notation for N-methylcyclohex-3-en-1-imine?
The canonical SMILES for N-methylcyclohex-3-en-1-imine is C/N=C1\CC=CCC1.
What is the InChIKey of N-methylcyclohex-3-en-1-imine?
The InChIKey is STDGZPXFVFUQNX-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h2-3H,4-6H2,1H3/b8-7+.
What are the key properties of N-methylcyclohex-3-en-1-imine?
N-methylcyclohex-3-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohex-3-en-1-imine is sourced from PubChem (CID 56975694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).