1-cyclobutylethanamine

C6H13N — CID 21274620

IUPAC1-cyclobutylethanamine
SMILESCC(N)C1CCC1
InChIInChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3
InChIKeyGDGHPMLCHFTAIY-UHFFFAOYSA-N
MW99.18 g/mol
LogP1.13
Rot. Bonds1

About 1-cyclobutylethanamine

1-cyclobutylethanamine (PubChem CID 21274620) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is 1-cyclobutylethanamine.

Molecular Properties

Compound Name1-cyclobutylethanamine
PubChem CID21274620
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC Name1-cyclobutylethanamine
SMILESCC(N)C1CCC1
InChIInChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3
InChIKeyGDGHPMLCHFTAIY-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylethanamine?
The IUPAC name of 1-cyclobutylethanamine (CID 21274620) is 1-cyclobutylethanamine.
What is the SMILES notation for 1-cyclobutylethanamine?
The canonical SMILES for 1-cyclobutylethanamine is CC(N)C1CCC1.
What is the InChIKey of 1-cyclobutylethanamine?
The InChIKey is GDGHPMLCHFTAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N/c1-5(7)6-3-2-4-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-cyclobutylethanamine?
1-cyclobutylethanamine has a molecular weight of 99.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylethanamine is sourced from PubChem (CID 21274620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).