2-cyclobutyl-6-methylcyclohex-2-en-1-amine

C11H19N — CID 66604382

IUPAC2-cyclobutyl-6-methylcyclohex-2-en-1-amine
SMILESCC1CCC=C(C2CCC2)C1N
InChIInChI=1S/C11H19N/c1-8-4-2-7-10(11(8)12)9-5-3-6-9/h7-9,11H,2-6,12H2,1H3
InChIKeyPPRRJVAKPYIGHN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.47
Rot. Bonds1

About 2-cyclobutyl-6-methylcyclohex-2-en-1-amine

2-cyclobutyl-6-methylcyclohex-2-en-1-amine (PubChem CID 66604382) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-cyclobutyl-6-methylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name2-cyclobutyl-6-methylcyclohex-2-en-1-amine
PubChem CID66604382
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-cyclobutyl-6-methylcyclohex-2-en-1-amine
SMILESCC1CCC=C(C2CCC2)C1N
InChIInChI=1S/C11H19N/c1-8-4-2-7-10(11(8)12)9-5-3-6-9/h7-9,11H,2-6,12H2,1H3
InChIKeyPPRRJVAKPYIGHN-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.47
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 2-cyclobutyl-6-methylcyclohex-2-en-1-amine?
The IUPAC name of 2-cyclobutyl-6-methylcyclohex-2-en-1-amine (CID 66604382) is 2-cyclobutyl-6-methylcyclohex-2-en-1-amine.
What is the SMILES notation for 2-cyclobutyl-6-methylcyclohex-2-en-1-amine?
The canonical SMILES for 2-cyclobutyl-6-methylcyclohex-2-en-1-amine is CC1CCC=C(C2CCC2)C1N.
What is the InChIKey of 2-cyclobutyl-6-methylcyclohex-2-en-1-amine?
The InChIKey is PPRRJVAKPYIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-8-4-2-7-10(11(8)12)9-5-3-6-9/h7-9,11H,2-6,12H2,1H3.
What are the key properties of 2-cyclobutyl-6-methylcyclohex-2-en-1-amine?
2-cyclobutyl-6-methylcyclohex-2-en-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-6-methylcyclohex-2-en-1-amine is sourced from PubChem (CID 66604382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).