5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride

C25H28ClN — CID 67609391

IUPAC5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride
SMILESCC(NCCCC=C(c1ccccc1)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C25H27N.ClH/c1-21(22-13-5-2-6-14-22)26-20-12-11-19-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-10,13-19,21,26H,11-12,20H2,1H3;1H
InChIKeyRCNAGVRQJNAKIQ-UHFFFAOYSA-N
MW377.96 g/mol
LogP6.67
Rot. Bonds8

About 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride

5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride (PubChem CID 67609391) has the molecular formula C25H28ClN and a molecular weight of 377.96 g/mol. Its IUPAC name is 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride
PubChem CID67609391
Molecular FormulaC25H28ClN
Molecular Weight377.96 g/mol
Exact Mass377.19
IUPAC Name5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride
SMILESCC(NCCCC=C(c1ccccc1)c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C25H27N.ClH/c1-21(22-13-5-2-6-14-22)26-20-12-11-19-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-10,13-19,21,26H,11-12,20H2,1H3;1H
InChIKeyRCNAGVRQJNAKIQ-UHFFFAOYSA-N
XLogP6.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.96
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090
N,N'-bis[(1R)-1-phenylethyl]heptane-1,7-diamine
CID 101387383
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 63866910
N-(1-phenylethyl)propan-1-amine;hydrochloride
CID 16641251
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
(1S)-N-(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 12513031
ethane;[[(1R)-1-phenylethyl]amino]methanol
CID 157126803
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,3-diphenylprop-2-en-1-amine
CID 73335835
4-methylsulfanyl-N-(1-phenylethyl)butan-1-amine
CID 115668102
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride (CID 67609391) is 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride is CC(NCCCC=C(c1ccccc1)c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is RCNAGVRQJNAKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N.ClH/c1-21(22-13-5-2-6-14-22)26-20-12-11-19-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24;/h2-10,13-19,21,26H,11-12,20H2,1H3;1H.
What are the key properties of 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride?
5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-N-(1-phenylethyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 67609391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).