N-ethoxycyclobutanamine

C6H13NO — CID 82712342

IUPACN-ethoxycyclobutanamine
SMILESCCONC1CCC1
InChIInChI=1S/C6H13NO/c1-2-8-7-6-4-3-5-6/h6-7H,2-5H2,1H3
InChIKeyDOCDCFZPUIFIIZ-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.08
Rot. Bonds3

About N-ethoxycyclobutanamine

N-ethoxycyclobutanamine (PubChem CID 82712342) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is N-ethoxycyclobutanamine.

Molecular Properties

Compound NameN-ethoxycyclobutanamine
PubChem CID82712342
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC NameN-ethoxycyclobutanamine
SMILESCCONC1CCC1
InChIInChI=1S/C6H13NO/c1-2-8-7-6-4-3-5-6/h6-7H,2-5H2,1H3
InChIKeyDOCDCFZPUIFIIZ-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.08
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-ethoxycyclobutanamine?
The IUPAC name of N-ethoxycyclobutanamine (CID 82712342) is N-ethoxycyclobutanamine.
What is the SMILES notation for N-ethoxycyclobutanamine?
The canonical SMILES for N-ethoxycyclobutanamine is CCONC1CCC1.
What is the InChIKey of N-ethoxycyclobutanamine?
The InChIKey is DOCDCFZPUIFIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-8-7-6-4-3-5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-ethoxycyclobutanamine?
N-ethoxycyclobutanamine has a molecular weight of 115.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxycyclobutanamine is sourced from PubChem (CID 82712342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).