1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine

C21H27NO — CID 85240837

IUPAC1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
SMILESC=CCCC(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h3,6-11,13-16,20-22H,1,4-5,12,17H2,2H3
InChIKeyNLWKQLBQWJOFLY-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.76
Rot. Bonds10

About 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine

1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine (PubChem CID 85240837) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
PubChem CID85240837
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
SMILESC=CCCC(NOC(CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h3,6-11,13-16,20-22H,1,4-5,12,17H2,2H3
InChIKeyNLWKQLBQWJOFLY-UHFFFAOYSA-N
XLogP5.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The IUPAC name of 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine (CID 85240837) is 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine.
What is the SMILES notation for 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The canonical SMILES for 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine is C=CCCC(NOC(CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The InChIKey is NLWKQLBQWJOFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-5-17-20(18-13-8-6-9-14-18)22-23-21(12-4-2)19-15-10-7-11-16-19/h3,6-11,13-16,20-22H,1,4-5,12,17H2,2H3.
What are the key properties of 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine has a molecular weight of 309.45 g/mol, XLogP of 5.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylbutoxy)pent-4-en-1-amine is sourced from PubChem (CID 85240837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).