4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine

C23H31NO — CID 150274974

IUPAC4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine
SMILESCOC(CNCCCCC1CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-25-23(21-14-4-2-5-15-21,22-16-6-3-7-17-22)19-24-18-9-8-11-20-12-10-13-20/h2-7,14-17,20,24H,8-13,18-19H2,1H3
InChIKeyGEJFAWSYJQFXOL-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.14
Rot. Bonds10

About 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine

4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine (PubChem CID 150274974) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine.

Molecular Properties

Compound Name4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine
PubChem CID150274974
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine
SMILESCOC(CNCCCCC1CCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31NO/c1-25-23(21-14-4-2-5-15-21,22-16-6-3-7-17-22)19-24-18-9-8-11-20-12-10-13-20/h2-7,14-17,20,24H,8-13,18-19H2,1H3
InChIKeyGEJFAWSYJQFXOL-UHFFFAOYSA-N
XLogP5.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.14
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 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine?
The IUPAC name of 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine (CID 150274974) is 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine.
What is the SMILES notation for 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine?
The canonical SMILES for 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine is COC(CNCCCCC1CCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine?
The InChIKey is GEJFAWSYJQFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-25-23(21-14-4-2-5-15-21,22-16-6-3-7-17-22)19-24-18-9-8-11-20-12-10-13-20/h2-7,14-17,20,24H,8-13,18-19H2,1H3.
What are the key properties of 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine?
4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine has a molecular weight of 337.51 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-(2-methoxy-2,2-diphenylethyl)butan-1-amine is sourced from PubChem (CID 150274974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).