cyclohex-2-en-1-ylidene(methyl)azanium

C7H12N+ — CID 135031019

IUPACcyclohex-2-en-1-ylidene(methyl)azanium
SMILESC/[NH+]=C1/C=CCCC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3/p+1/b8-7-
InChIKeyTZULEKCNOIWKLO-FPLPWBNLSA-O
MW110.18 g/mol
LogP-0.12
Rot. Bonds

About cyclohex-2-en-1-ylidene(methyl)azanium

cyclohex-2-en-1-ylidene(methyl)azanium (PubChem CID 135031019) has the molecular formula C7H12N+ and a molecular weight of 110.18 g/mol. Its IUPAC name is cyclohex-2-en-1-ylidene(methyl)azanium.

Molecular Properties

Compound Namecyclohex-2-en-1-ylidene(methyl)azanium
PubChem CID135031019
Molecular FormulaC7H12N+
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Namecyclohex-2-en-1-ylidene(methyl)azanium
SMILESC/[NH+]=C1/C=CCCC1
InChIInChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3/p+1/b8-7-
InChIKeyTZULEKCNOIWKLO-FPLPWBNLSA-O
XLogP-0.12
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexenimine
CID 18766735
4-fluoro-N-methylcyclohex-2-en-1-imine
CID 123864135
Cyclohex-2-en-1-ylideneazanium
CID 135014091
4-N-methylcyclohex-2-ene-1,4-diimine
CID 20673085
N-methylcyclohex-2-en-1-imine
CID 20718417
N-methylcyclohex-3-en-1-imine
CID 56975694
ethane;N-methylcyclohex-2-en-1-imine
CID 90847899
1-N,2-N-dimethylcyclohex-3-ene-1,2-diimine
CID 123358178
(Z)-4-N-methylhept-5-ene-3,4-diimine
CID 123482216
(Z)-2-N-methylhex-4-ene-2,3-diimine
CID 123515197
N-ethylcyclohex-2-en-1-imine
CID 123553730
2-N-ethylcyclohex-3-ene-1,2-diimine
CID 123566482

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylidene(methyl)azanium?
The IUPAC name of cyclohex-2-en-1-ylidene(methyl)azanium (CID 135031019) is cyclohex-2-en-1-ylidene(methyl)azanium.
What is the SMILES notation for cyclohex-2-en-1-ylidene(methyl)azanium?
The canonical SMILES for cyclohex-2-en-1-ylidene(methyl)azanium is C/[NH+]=C1/C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylidene(methyl)azanium?
The InChIKey is TZULEKCNOIWKLO-FPLPWBNLSA-O. The full InChI is InChI=1S/C7H11N/c1-8-7-5-3-2-4-6-7/h3,5H,2,4,6H2,1H3/p+1/b8-7-.
What are the key properties of cyclohex-2-en-1-ylidene(methyl)azanium?
cyclohex-2-en-1-ylidene(methyl)azanium has a molecular weight of 110.18 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylidene(methyl)azanium is sourced from PubChem (CID 135031019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).