3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine

C13H17N — CID 82405285

IUPAC3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1cccc(C2(N)CC3CC3C2)c1
InChIInChI=1S/C13H17N/c1-9-3-2-4-12(5-9)13(14)7-10-6-11(10)8-13/h2-5,10-11H,6-8,14H2,1H3
InChIKeyJKQBDOVHNDIRJQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.58
Rot. Bonds1

About 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine

3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 82405285) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine
PubChem CID82405285
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1cccc(C2(N)CC3CC3C2)c1
InChIInChI=1S/C13H17N/c1-9-3-2-4-12(5-9)13(14)7-10-6-11(10)8-13/h2-5,10-11H,6-8,14H2,1H3
InChIKeyJKQBDOVHNDIRJQ-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine (CID 82405285) is 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine is Cc1cccc(C2(N)CC3CC3C2)c1.
What is the InChIKey of 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is JKQBDOVHNDIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-3-2-4-12(5-9)13(14)7-10-6-11(10)8-13/h2-5,10-11H,6-8,14H2,1H3.
What are the key properties of 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine?
3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 82405285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).