N-methoxycyclobutanamine

C5H11NO — CID 22088026

IUPACN-methoxycyclobutanamine
SMILESCONC1CCC1
InChIInChI=1S/C5H11NO/c1-7-6-5-3-2-4-5/h5-6H,2-4H2,1H3
InChIKeyPRLCKIJLJWFLJR-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.69
Rot. Bonds2

About N-methoxycyclobutanamine

N-methoxycyclobutanamine (PubChem CID 22088026) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is N-methoxycyclobutanamine.

Molecular Properties

Compound NameN-methoxycyclobutanamine
PubChem CID22088026
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC NameN-methoxycyclobutanamine
SMILESCONC1CCC1
InChIInChI=1S/C5H11NO/c1-7-6-5-3-2-4-5/h5-6H,2-4H2,1H3
InChIKeyPRLCKIJLJWFLJR-UHFFFAOYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxycyclobutanamine?
The IUPAC name of N-methoxycyclobutanamine (CID 22088026) is N-methoxycyclobutanamine.
What is the SMILES notation for N-methoxycyclobutanamine?
The canonical SMILES for N-methoxycyclobutanamine is CONC1CCC1.
What is the InChIKey of N-methoxycyclobutanamine?
The InChIKey is PRLCKIJLJWFLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-6-5-3-2-4-5/h5-6H,2-4H2,1H3.
What are the key properties of N-methoxycyclobutanamine?
N-methoxycyclobutanamine has a molecular weight of 101.15 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxycyclobutanamine is sourced from PubChem (CID 22088026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).