6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine

C13H23N — CID 79330765

IUPAC6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
SMILESCC1CCC(C2(N)C3CCCC32)CC1
InChIInChI=1S/C13H23N/c1-9-5-7-10(8-6-9)13(14)11-3-2-4-12(11)13/h9-12H,2-8,14H2,1H3
InChIKeyHJOFSJSZEJONEA-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds1

About 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine

6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine (PubChem CID 79330765) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
PubChem CID79330765
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine
SMILESCC1CCC(C2(N)C3CCCC32)CC1
InChIInChI=1S/C13H23N/c1-9-5-7-10(8-6-9)13(14)11-3-2-4-12(11)13/h9-12H,2-8,14H2,1H3
InChIKeyHJOFSJSZEJONEA-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine (CID 79330765) is 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine is CC1CCC(C2(N)C3CCCC32)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine?
The InChIKey is HJOFSJSZEJONEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9-5-7-10(8-6-9)13(14)11-3-2-4-12(11)13/h9-12H,2-8,14H2,1H3.
What are the key properties of 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine?
6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 79330765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).