formic acid;3-methylcyclobutan-1-amine

C6H13NO2 — CID 175472209

IUPACformic acid;3-methylcyclobutan-1-amine
SMILESCC1CC(N)C1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-5H,2-3,6H2,1H3;1H,(H,2,3)
InChIKeyBIIFGOUJZZXHFH-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.44
Rot. Bonds

About formic acid;3-methylcyclobutan-1-amine

formic acid;3-methylcyclobutan-1-amine (PubChem CID 175472209) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is formic acid;3-methylcyclobutan-1-amine.

Molecular Properties

Compound Nameformic acid;3-methylcyclobutan-1-amine
PubChem CID175472209
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameformic acid;3-methylcyclobutan-1-amine
SMILESCC1CC(N)C1.O=CO
InChIInChI=1S/C5H11N.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-5H,2-3,6H2,1H3;1H,(H,2,3)
InChIKeyBIIFGOUJZZXHFH-UHFFFAOYSA-N
XLogP0.44
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;3-methylcyclobutan-1-amine?
The IUPAC name of formic acid;3-methylcyclobutan-1-amine (CID 175472209) is formic acid;3-methylcyclobutan-1-amine.
What is the SMILES notation for formic acid;3-methylcyclobutan-1-amine?
The canonical SMILES for formic acid;3-methylcyclobutan-1-amine is CC1CC(N)C1.O=CO.
What is the InChIKey of formic acid;3-methylcyclobutan-1-amine?
The InChIKey is BIIFGOUJZZXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CH2O2/c1-4-2-5(6)3-4;2-1-3/h4-5H,2-3,6H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;3-methylcyclobutan-1-amine?
formic acid;3-methylcyclobutan-1-amine has a molecular weight of 131.18 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-methylcyclobutan-1-amine is sourced from PubChem (CID 175472209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).