3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine

C13H23N — CID 114981359

IUPAC3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine
SMILESNC(C1CCCCC1)C1CC2CC2C1
InChIInChI=1S/C13H23N/c14-13(9-4-2-1-3-5-9)12-7-10-6-11(10)8-12/h9-13H,1-8,14H2
InChIKeyKFOHMLWUMSUQGO-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine

3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine (PubChem CID 114981359) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine
PubChem CID114981359
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine
SMILESNC(C1CCCCC1)C1CC2CC2C1
InChIInChI=1S/C13H23N/c14-13(9-4-2-1-3-5-9)12-7-10-6-11(10)8-12/h9-13H,1-8,14H2
InChIKeyKFOHMLWUMSUQGO-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

cycloheptyl(cyclohexyl)methanamine
CID 65399873
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104992100
4-[amino(cyclopentyl)methyl]cyclohexan-1-ol
CID 116941893
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
6-bicyclo[3.1.0]hexanyl(cycloheptyl)methanamine
CID 105027674
[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclohexylethyl]hydrazine
CID 105296155
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
cyclohexyl(difluoroboranyl)methanamine
CID 141469244
cyclohexyl(silyl)methanamine
CID 174790563
N-[3-bicyclo[3.1.0]hexanyl(cyclohexyl)methyl]ethanamine
CID 114981006
bicyclo[21.1.0]tetracosane
CID 123789596
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine (CID 114981359) is 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine is NC(C1CCCCC1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine?
The InChIKey is KFOHMLWUMSUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-13(9-4-2-1-3-5-9)12-7-10-6-11(10)8-12/h9-13H,1-8,14H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine?
3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine is sourced from PubChem (CID 114981359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).