N-methyl-4-methylidenecyclohex-2-en-1-imine

C8H11N — CID 123668536

IUPACN-methyl-4-methylidenecyclohex-2-en-1-imine
SMILESC=C1C=C/C(=N\C)CC1
InChIInChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3,5H,1,4,6H2,2H3/b9-8+
InChIKeyDOPWYJVMNAIFGF-CMDGGOBGSA-N
MW121.18 g/mol
LogP1.96
Rot. Bonds

About N-methyl-4-methylidenecyclohex-2-en-1-imine

N-methyl-4-methylidenecyclohex-2-en-1-imine (PubChem CID 123668536) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N-methyl-4-methylidenecyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-4-methylidenecyclohex-2-en-1-imine
PubChem CID123668536
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN-methyl-4-methylidenecyclohex-2-en-1-imine
SMILESC=C1C=C/C(=N\C)CC1
InChIInChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3,5H,1,4,6H2,2H3/b9-8+
InChIKeyDOPWYJVMNAIFGF-CMDGGOBGSA-N
XLogP1.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.96
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

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Nigrifactin
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Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
3h-Quinoline
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2-Methylindol-2-ylium
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2-methyl-2H-indole
CID 58371059
4-Methyl-2,3-dihydroquinoline
CID 68274032
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylidenecyclohex-2-en-1-imine?
The IUPAC name of N-methyl-4-methylidenecyclohex-2-en-1-imine (CID 123668536) is N-methyl-4-methylidenecyclohex-2-en-1-imine.
What is the SMILES notation for N-methyl-4-methylidenecyclohex-2-en-1-imine?
The canonical SMILES for N-methyl-4-methylidenecyclohex-2-en-1-imine is C=C1C=C/C(=N\C)CC1.
What is the InChIKey of N-methyl-4-methylidenecyclohex-2-en-1-imine?
The InChIKey is DOPWYJVMNAIFGF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3,5H,1,4,6H2,2H3/b9-8+.
What are the key properties of N-methyl-4-methylidenecyclohex-2-en-1-imine?
N-methyl-4-methylidenecyclohex-2-en-1-imine has a molecular weight of 121.18 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylidenecyclohex-2-en-1-imine is sourced from PubChem (CID 123668536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).