3-methyl-5-methylidenecyclohexan-1-amine

C8H15N — CID 144660079

IUPAC3-methyl-5-methylidenecyclohexan-1-amine
SMILESC=C1CC(C)CC(N)C1
InChIInChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h7-8H,1,3-5,9H2,2H3
InChIKeyJIBNUTPRMVMTSV-UHFFFAOYSA-N
MW125.22 g/mol
LogP1.69
Rot. Bonds

About 3-methyl-5-methylidenecyclohexan-1-amine

3-methyl-5-methylidenecyclohexan-1-amine (PubChem CID 144660079) has the molecular formula C8H15N and a molecular weight of 125.22 g/mol. Its IUPAC name is 3-methyl-5-methylidenecyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-5-methylidenecyclohexan-1-amine
PubChem CID144660079
Molecular FormulaC8H15N
Molecular Weight125.22 g/mol
Exact Mass125.12
IUPAC Name3-methyl-5-methylidenecyclohexan-1-amine
SMILESC=C1CC(C)CC(N)C1
InChIInChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h7-8H,1,3-5,9H2,2H3
InChIKeyJIBNUTPRMVMTSV-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.22
LogP ≤ 51.69
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-methyl-5-methylidenecyclohexan-1-amine?
The IUPAC name of 3-methyl-5-methylidenecyclohexan-1-amine (CID 144660079) is 3-methyl-5-methylidenecyclohexan-1-amine.
What is the SMILES notation for 3-methyl-5-methylidenecyclohexan-1-amine?
The canonical SMILES for 3-methyl-5-methylidenecyclohexan-1-amine is C=C1CC(C)CC(N)C1.
What is the InChIKey of 3-methyl-5-methylidenecyclohexan-1-amine?
The InChIKey is JIBNUTPRMVMTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6-3-7(2)5-8(9)4-6/h7-8H,1,3-5,9H2,2H3.
What are the key properties of 3-methyl-5-methylidenecyclohexan-1-amine?
3-methyl-5-methylidenecyclohexan-1-amine has a molecular weight of 125.22 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidenecyclohexan-1-amine is sourced from PubChem (CID 144660079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).