3-(3-methylcyclohexylidene)cyclobutan-1-amine

C11H19N — CID 103394006

IUPAC3-(3-methylcyclohexylidene)cyclobutan-1-amine
SMILESCC1CCCC(=C2CC(N)C2)C1
InChIInChI=1S/C11H19N/c1-8-3-2-4-9(5-8)10-6-11(12)7-10/h8,11H,2-7,12H2,1H3/b10-9-
InChIKeyODVIKQHUCNSFRW-KTKRTIGZSA-N
MW165.28 g/mol
LogP2.61
Rot. Bonds

About 3-(3-methylcyclohexylidene)cyclobutan-1-amine

3-(3-methylcyclohexylidene)cyclobutan-1-amine (PubChem CID 103394006) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-(3-methylcyclohexylidene)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methylcyclohexylidene)cyclobutan-1-amine
PubChem CID103394006
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-(3-methylcyclohexylidene)cyclobutan-1-amine
SMILESCC1CCCC(=C2CC(N)C2)C1
InChIInChI=1S/C11H19N/c1-8-3-2-4-9(5-8)10-6-11(12)7-10/h8,11H,2-7,12H2,1H3/b10-9-
InChIKeyODVIKQHUCNSFRW-KTKRTIGZSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.61
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-(3-methylcyclohexylidene)cyclobutan-1-amine?
The IUPAC name of 3-(3-methylcyclohexylidene)cyclobutan-1-amine (CID 103394006) is 3-(3-methylcyclohexylidene)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methylcyclohexylidene)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methylcyclohexylidene)cyclobutan-1-amine is CC1CCCC(=C2CC(N)C2)C1.
What is the InChIKey of 3-(3-methylcyclohexylidene)cyclobutan-1-amine?
The InChIKey is ODVIKQHUCNSFRW-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H19N/c1-8-3-2-4-9(5-8)10-6-11(12)7-10/h8,11H,2-7,12H2,1H3/b10-9-.
What are the key properties of 3-(3-methylcyclohexylidene)cyclobutan-1-amine?
3-(3-methylcyclohexylidene)cyclobutan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexylidene)cyclobutan-1-amine is sourced from PubChem (CID 103394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).