1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine

C13H23N — CID 130602111

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine
SMILESCC1(CC(N)C2CC3CC3C2)CCC1
InChIInChI=1S/C13H23N/c1-13(3-2-4-13)8-12(14)11-6-9-5-10(9)7-11/h9-12H,2-8,14H2,1H3
InChIKeyKYMGHYMDANKYIX-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine (PubChem CID 130602111) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine
PubChem CID130602111
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine
SMILESCC1(CC(N)C2CC3CC3C2)CCC1
InChIInChI=1S/C13H23N/c1-13(3-2-4-13)8-12(14)11-6-9-5-10(9)7-11/h9-12H,2-8,14H2,1H3
InChIKeyKYMGHYMDANKYIX-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine (CID 130602111) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine is CC1(CC(N)C2CC3CC3C2)CCC1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine?
The InChIKey is KYMGHYMDANKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(3-2-4-13)8-12(14)11-6-9-5-10(9)7-11/h9-12H,2-8,14H2,1H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(1-methylcyclobutyl)ethanamine is sourced from PubChem (CID 130602111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).