1-(1-aminocyclobutyl)ethanol

C6H13NO — CID 158667733

IUPAC1-(1-aminocyclobutyl)ethanol
SMILESCC(O)C1(N)CCC1
InChIInChI=1S/C6H13NO/c1-5(8)6(7)3-2-4-6/h5,8H,2-4,7H2,1H3
InChIKeyAQPKGCIGVBYUCM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.25
Rot. Bonds1

About 1-(1-aminocyclobutyl)ethanol

1-(1-aminocyclobutyl)ethanol (PubChem CID 158667733) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-(1-aminocyclobutyl)ethanol.

Molecular Properties

Compound Name1-(1-aminocyclobutyl)ethanol
PubChem CID158667733
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-(1-aminocyclobutyl)ethanol
SMILESCC(O)C1(N)CCC1
InChIInChI=1S/C6H13NO/c1-5(8)6(7)3-2-4-6/h5,8H,2-4,7H2,1H3
InChIKeyAQPKGCIGVBYUCM-UHFFFAOYSA-N
XLogP0.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1-aminocyclobutyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclobutyl)ethanol?
The IUPAC name of 1-(1-aminocyclobutyl)ethanol (CID 158667733) is 1-(1-aminocyclobutyl)ethanol.
What is the SMILES notation for 1-(1-aminocyclobutyl)ethanol?
The canonical SMILES for 1-(1-aminocyclobutyl)ethanol is CC(O)C1(N)CCC1.
What is the InChIKey of 1-(1-aminocyclobutyl)ethanol?
The InChIKey is AQPKGCIGVBYUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(8)6(7)3-2-4-6/h5,8H,2-4,7H2,1H3.
What are the key properties of 1-(1-aminocyclobutyl)ethanol?
1-(1-aminocyclobutyl)ethanol has a molecular weight of 115.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclobutyl)ethanol is sourced from PubChem (CID 158667733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).