1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine

C24H31NO — CID 85318132

IUPAC1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
SMILESC=CCCC(c1ccccc1)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C24H31NO/c1-4-7-19-23(21-15-10-8-11-16-21)25(20-6-3)26-24(14-5-2)22-17-12-9-13-18-22/h4,6,8-13,15-18,23-24H,1,3,5,7,14,19-20H2,2H3
InChIKeyVBIQCQXPKWPXOM-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.65
Rot. Bonds12

About 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine

1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine (PubChem CID 85318132) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
PubChem CID85318132
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine
SMILESC=CCCC(c1ccccc1)N(CC=C)OC(CCC)c1ccccc1
InChIInChI=1S/C24H31NO/c1-4-7-19-23(21-15-10-8-11-16-21)25(20-6-3)26-24(14-5-2)22-17-12-9-13-18-22/h4,6,8-13,15-18,23-24H,1,3,5,7,14,19-20H2,2H3
InChIKeyVBIQCQXPKWPXOM-UHFFFAOYSA-N
XLogP6.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.65
H-Bond Donors ≤ 50
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)-N-prop-2-enylpent-4-en-1-amine?
The IUPAC name of 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine (CID 85318132) is 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine is C=CCCC(c1ccccc1)N(CC=C)OC(CCC)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine?
The InChIKey is VBIQCQXPKWPXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-4-7-19-23(21-15-10-8-11-16-21)25(20-6-3)26-24(14-5-2)22-17-12-9-13-18-22/h4,6,8-13,15-18,23-24H,1,3,5,7,14,19-20H2,2H3.
What are the key properties of 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine?
1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine has a molecular weight of 349.52 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-phenylbutoxy)-N-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 85318132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).