3-methylidenecyclohexan-1-amine

C7H13N — CID 67574918

IUPAC3-methylidenecyclohexan-1-amine
SMILESC=C1CCCC(N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h7H,1-5,8H2
InChIKeyLATZMIIZNRXOES-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.44
Rot. Bonds

About 3-methylidenecyclohexan-1-amine

3-methylidenecyclohexan-1-amine (PubChem CID 67574918) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name3-methylidenecyclohexan-1-amine
PubChem CID67574918
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-methylidenecyclohexan-1-amine
SMILESC=C1CCCC(N)C1
InChIInChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h7H,1-5,8H2
InChIKeyLATZMIIZNRXOES-UHFFFAOYSA-N
XLogP1.44
TPSA26.02 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidenecyclohexan-1-amine?
The IUPAC name of 3-methylidenecyclohexan-1-amine (CID 67574918) is 3-methylidenecyclohexan-1-amine.
What is the SMILES notation for 3-methylidenecyclohexan-1-amine?
The canonical SMILES for 3-methylidenecyclohexan-1-amine is C=C1CCCC(N)C1.
What is the InChIKey of 3-methylidenecyclohexan-1-amine?
The InChIKey is LATZMIIZNRXOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-6-3-2-4-7(8)5-6/h7H,1-5,8H2.
What are the key properties of 3-methylidenecyclohexan-1-amine?
3-methylidenecyclohexan-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenecyclohexan-1-amine is sourced from PubChem (CID 67574918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).