5-phenyl-4-propylpentadecan-4-amine;hydrochloride

C24H44ClN — CID 173426858

IUPAC5-phenyl-4-propylpentadecan-4-amine;hydrochloride
SMILESCCCCCCCCCCC(c1ccccc1)C(N)(CCC)CCC.Cl
InChIInChI=1S/C24H43N.ClH/c1-4-7-8-9-10-11-12-16-19-23(22-17-14-13-15-18-22)24(25,20-5-2)21-6-3;/h13-15,17-18,23H,4-12,16,19-21,25H2,1-3H3;1H
InChIKeyVZYKKWWEQIJMEA-UHFFFAOYSA-N
MW382.08 g/mol
LogP8.02
Rot. Bonds15

About 5-phenyl-4-propylpentadecan-4-amine;hydrochloride

5-phenyl-4-propylpentadecan-4-amine;hydrochloride (PubChem CID 173426858) has the molecular formula C24H44ClN and a molecular weight of 382.08 g/mol. Its IUPAC name is 5-phenyl-4-propylpentadecan-4-amine;hydrochloride.

Molecular Properties

Compound Name5-phenyl-4-propylpentadecan-4-amine;hydrochloride
PubChem CID173426858
Molecular FormulaC24H44ClN
Molecular Weight382.08 g/mol
Exact Mass381.32
IUPAC Name5-phenyl-4-propylpentadecan-4-amine;hydrochloride
SMILESCCCCCCCCCCC(c1ccccc1)C(N)(CCC)CCC.Cl
InChIInChI=1S/C24H43N.ClH/c1-4-7-8-9-10-11-12-16-19-23(22-17-14-13-15-18-22)24(25,20-5-2)21-6-3;/h13-15,17-18,23H,4-12,16,19-21,25H2,1-3H3;1H
InChIKeyVZYKKWWEQIJMEA-UHFFFAOYSA-N
XLogP8.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.08
LogP ≤ 58.02
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

3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
CID 173426899
1,1,2-triphenyltetradecan-1-amine
CID 87776795
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
5-naphthalen-1-yl-4-propylheptadecan-4-amine;hydrate
CID 173442364
2,2-dichloroundecan-3-ylbenzene
CID 151571814
(2-chloro-2-methylundecan-3-yl)benzene
CID 151297079
1,1,2-triphenylhexadecylphosphane;hydrochloride
CID 118389380
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
(1-chloro-1,1-diphenyldocosan-2-yl)benzene
CID 88670042
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-phenyldecan-1-amine
CID 43175860

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propylpentadecan-4-amine;hydrochloride?
The IUPAC name of 5-phenyl-4-propylpentadecan-4-amine;hydrochloride (CID 173426858) is 5-phenyl-4-propylpentadecan-4-amine;hydrochloride.
What is the SMILES notation for 5-phenyl-4-propylpentadecan-4-amine;hydrochloride?
The canonical SMILES for 5-phenyl-4-propylpentadecan-4-amine;hydrochloride is CCCCCCCCCCC(c1ccccc1)C(N)(CCC)CCC.Cl.
What is the InChIKey of 5-phenyl-4-propylpentadecan-4-amine;hydrochloride?
The InChIKey is VZYKKWWEQIJMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N.ClH/c1-4-7-8-9-10-11-12-16-19-23(22-17-14-13-15-18-22)24(25,20-5-2)21-6-3;/h13-15,17-18,23H,4-12,16,19-21,25H2,1-3H3;1H.
What are the key properties of 5-phenyl-4-propylpentadecan-4-amine;hydrochloride?
5-phenyl-4-propylpentadecan-4-amine;hydrochloride has a molecular weight of 382.08 g/mol, XLogP of 8.02, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propylpentadecan-4-amine;hydrochloride is sourced from PubChem (CID 173426858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).