(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine

C27H31NO — CID 134883555

IUPAC(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
SMILESCCCC(ONC(CC/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO/c1-2-14-27(25-20-10-5-11-21-25)29-28-26(24-18-8-4-9-19-24)22-13-12-17-23-15-6-3-7-16-23/h3-12,15-21,26-28H,2,13-14,22H2,1H3/b17-12+
InChIKeyNRKJOJOQAKCCNR-SFQUDFHCSA-N
MW385.55 g/mol
LogP7.28
Rot. Bonds11

About (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine

(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine (PubChem CID 134883555) has the molecular formula C27H31NO and a molecular weight of 385.55 g/mol. Its IUPAC name is (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
PubChem CID134883555
Molecular FormulaC27H31NO
Molecular Weight385.55 g/mol
Exact Mass385.24
IUPAC Name(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine
SMILESCCCC(ONC(CC/C=C/c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31NO/c1-2-14-27(25-20-10-5-11-21-25)29-28-26(24-18-8-4-9-19-24)22-13-12-17-23-15-6-3-7-16-23/h3-12,15-21,26-28H,2,13-14,22H2,1H3/b17-12+
InChIKeyNRKJOJOQAKCCNR-SFQUDFHCSA-N
XLogP7.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.55
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The IUPAC name of (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine (CID 134883555) is (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine.
What is the SMILES notation for (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The canonical SMILES for (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine is CCCC(ONC(CC/C=C/c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
The InChIKey is NRKJOJOQAKCCNR-SFQUDFHCSA-N. The full InChI is InChI=1S/C27H31NO/c1-2-14-27(25-20-10-5-11-21-25)29-28-26(24-18-8-4-9-19-24)22-13-12-17-23-15-6-3-7-16-23/h3-12,15-21,26-28H,2,13-14,22H2,1H3/b17-12+.
What are the key properties of (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine?
(E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine has a molecular weight of 385.55 g/mol, XLogP of 7.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,5-diphenyl-N-(1-phenylbutoxy)pent-4-en-1-amine is sourced from PubChem (CID 134883555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).