4-methylcyclohexan-1-imine

C7H13N — CID 89033546

IUPAC4-methylcyclohexan-1-imine
SMILES[H]N=C1CCC(C)CC1
InChIInChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h6,8H,2-5H2,1H3/b8-7-
InChIKeyOKYUGVDGDFNJKZ-FPLPWBNLSA-N
MW111.19 g/mol
LogP2.22
Rot. Bonds

About 4-methylcyclohexan-1-imine

4-methylcyclohexan-1-imine (PubChem CID 89033546) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 4-methylcyclohexan-1-imine.

Molecular Properties

Compound Name4-methylcyclohexan-1-imine
PubChem CID89033546
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name4-methylcyclohexan-1-imine
SMILES[H]N=C1CCC(C)CC1
InChIInChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h6,8H,2-5H2,1H3/b8-7-
InChIKeyOKYUGVDGDFNJKZ-FPLPWBNLSA-N
XLogP2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 52.22
H-Bond Donors ≤ 51
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 4-methylcyclohexan-1-imine?
The IUPAC name of 4-methylcyclohexan-1-imine (CID 89033546) is 4-methylcyclohexan-1-imine.
What is the SMILES notation for 4-methylcyclohexan-1-imine?
The canonical SMILES for 4-methylcyclohexan-1-imine is [H]N=C1CCC(C)CC1.
What is the InChIKey of 4-methylcyclohexan-1-imine?
The InChIKey is OKYUGVDGDFNJKZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H13N/c1-6-2-4-7(8)5-3-6/h6,8H,2-5H2,1H3/b8-7-.
What are the key properties of 4-methylcyclohexan-1-imine?
4-methylcyclohexan-1-imine has a molecular weight of 111.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-imine is sourced from PubChem (CID 89033546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).