(2-methylcyclohexylidene)azanium

C7H14N+ — CID 57108412

IUPAC(2-methylcyclohexylidene)azanium
SMILESCC1CCCCC1=[NH2+]
InChIInChI=1S/C7H13N/c1-6-4-2-3-5-7(6)8/h6,8H,2-5H2,1H3/p+1
InChIKeyZWWFCBCSHLJYNS-UHFFFAOYSA-O
MW112.20 g/mol
LogP0.40
Rot. Bonds

About (2-methylcyclohexylidene)azanium

(2-methylcyclohexylidene)azanium (PubChem CID 57108412) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is (2-methylcyclohexylidene)azanium.

Molecular Properties

Compound Name(2-methylcyclohexylidene)azanium
PubChem CID57108412
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name(2-methylcyclohexylidene)azanium
SMILESCC1CCCCC1=[NH2+]
InChIInChI=1S/C7H13N/c1-6-4-2-3-5-7(6)8/h6,8H,2-5H2,1H3/p+1
InChIKeyZWWFCBCSHLJYNS-UHFFFAOYSA-O
XLogP0.40
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 50.40
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

N-cyclohexylpropylideneimine
CID 278552
Cyclohexanimine, 2,6-dimethyl-
CID 114554
4-Methylcyclohexanone hydrazone
CID 14684666
(2S)-3,3-difluoro-2-methylcyclohexan-1-imine
CID 89592223
2-(Trifluoromethyl)cyclohexan-1-imine
CID 173212003
1-Cyclohexylethanimine
CID 18727539
1-Cyclopentylethanimine
CID 18727540
5-Methylhexan-3-imine
CID 20811319
4-Methylhexan-2-imine
CID 21943615
2,2-Dimethylcyclohexan-1-imine
CID 22113511
5-Methylhexan-2-imine
CID 23163176
3-Methylhexan-2-imine
CID 54508793

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexylidene)azanium?
The IUPAC name of (2-methylcyclohexylidene)azanium (CID 57108412) is (2-methylcyclohexylidene)azanium.
What is the SMILES notation for (2-methylcyclohexylidene)azanium?
The canonical SMILES for (2-methylcyclohexylidene)azanium is CC1CCCCC1=[NH2+].
What is the InChIKey of (2-methylcyclohexylidene)azanium?
The InChIKey is ZWWFCBCSHLJYNS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N/c1-6-4-2-3-5-7(6)8/h6,8H,2-5H2,1H3/p+1.
What are the key properties of (2-methylcyclohexylidene)azanium?
(2-methylcyclohexylidene)azanium has a molecular weight of 112.20 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexylidene)azanium is sourced from PubChem (CID 57108412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).