N-propoxycyclobutanamine

C7H15NO — CID 131050544

IUPACN-propoxycyclobutanamine
SMILESCCCONC1CCC1
InChIInChI=1S/C7H15NO/c1-2-6-9-8-7-4-3-5-7/h7-8H,2-6H2,1H3
InChIKeyFBMBXIZUHMNZAB-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.47
Rot. Bonds4

About N-propoxycyclobutanamine

N-propoxycyclobutanamine (PubChem CID 131050544) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-propoxycyclobutanamine.

Molecular Properties

Compound NameN-propoxycyclobutanamine
PubChem CID131050544
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-propoxycyclobutanamine
SMILESCCCONC1CCC1
InChIInChI=1S/C7H15NO/c1-2-6-9-8-7-4-3-5-7/h7-8H,2-6H2,1H3
InChIKeyFBMBXIZUHMNZAB-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propoxycyclobutanamine?
The IUPAC name of N-propoxycyclobutanamine (CID 131050544) is N-propoxycyclobutanamine.
What is the SMILES notation for N-propoxycyclobutanamine?
The canonical SMILES for N-propoxycyclobutanamine is CCCONC1CCC1.
What is the InChIKey of N-propoxycyclobutanamine?
The InChIKey is FBMBXIZUHMNZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-6-9-8-7-4-3-5-7/h7-8H,2-6H2,1H3.
What are the key properties of N-propoxycyclobutanamine?
N-propoxycyclobutanamine has a molecular weight of 129.20 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxycyclobutanamine is sourced from PubChem (CID 131050544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).