3-butoxy-N-ethylcyclobutan-1-amine

C10H21NO — CID 66356657

IUPAC3-butoxy-N-ethylcyclobutan-1-amine
SMILESCCCCOC1CC(NCC)C1
InChIInChI=1S/C10H21NO/c1-3-5-6-12-10-7-9(8-10)11-4-2/h9-11H,3-8H2,1-2H3
InChIKeyDIYXKNLSJRAHBL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds6

About 3-butoxy-N-ethylcyclobutan-1-amine

3-butoxy-N-ethylcyclobutan-1-amine (PubChem CID 66356657) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-butoxy-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-ethylcyclobutan-1-amine
PubChem CID66356657
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-butoxy-N-ethylcyclobutan-1-amine
SMILESCCCCOC1CC(NCC)C1
InChIInChI=1S/C10H21NO/c1-3-5-6-12-10-7-9(8-10)11-4-2/h9-11H,3-8H2,1-2H3
InChIKeyDIYXKNLSJRAHBL-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-butoxy-N-ethylcyclobutan-1-amine (CID 66356657) is 3-butoxy-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-butoxy-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-butoxy-N-ethylcyclobutan-1-amine is CCCCOC1CC(NCC)C1.
What is the InChIKey of 3-butoxy-N-ethylcyclobutan-1-amine?
The InChIKey is DIYXKNLSJRAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-6-12-10-7-9(8-10)11-4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-butoxy-N-ethylcyclobutan-1-amine?
3-butoxy-N-ethylcyclobutan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 66356657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).