[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium

C23H44NO+ — CID 58163595

IUPAC[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium
SMILESC[N+](C)(C)CCCCC(=O)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C23H44NO/c1-24(2,3)21-15-14-20-23(25)19-11-9-7-5-4-6-8-10-16-22-17-12-13-18-22/h12,17,22H,4-11,13-16,18-21H2,1-3H3/q+1/t22-/m0/s1
InChIKeyLZGICCYFSXAZDX-QFIPXVFZSA-N
MW350.61 g/mol
LogP6.30
Rot. Bonds16

About [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium

[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium (PubChem CID 58163595) has the molecular formula C23H44NO+ and a molecular weight of 350.61 g/mol. Its IUPAC name is [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium.

Molecular Properties

Compound Name[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium
PubChem CID58163595
Molecular FormulaC23H44NO+
Molecular Weight350.61 g/mol
Exact Mass350.34
IUPAC Name[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium
SMILESC[N+](C)(C)CCCCC(=O)CCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C23H44NO/c1-24(2,3)21-15-14-20-23(25)19-11-9-7-5-4-6-8-10-16-22-17-12-13-18-22/h12,17,22H,4-11,13-16,18-21H2,1-3H3/q+1/t22-/m0/s1
InChIKeyLZGICCYFSXAZDX-QFIPXVFZSA-N
XLogP6.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.61
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2,3-Dioleoylpropyl)-trimethylammonium chloride
CID 25033028
1,2-dioleoyl-N,N-dimethyl-3-aminopropane
CID 25261104
Trimethyl-(2-octadec-9-enoyl-4-oxohenicos-12-enyl)azanium
CID 54481206
1,2-Dilinoleoyl-3-dimethylaminopropane
CID 87059499
Trimethyl-(3-octadec-9-enoyl-4-oxohenicos-12-enyl)azanium
CID 91281259
(2,3-Dioleoyl-propyl)-trimethylamine
CID 140870796
Dioleoylpropyl trimethyl ammonium chloride
CID 141252038
5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride
CID 362665
9-Methyl-11-hexadecenoic acid pyrrolidide
CID 129726335
5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one
CID 362666
(3Z,5Z)-4-ethyl-3-[2-[fluoro(methyl)amino]ethyl]-12-methylpentadeca-1,3,5-trien-8-one
CID 141921820
Pyrrolidine, 1-(1-oxo-14-methyl-8-hexadecenyl)-
CID 5370365

Frequently Asked Questions

What is the IUPAC name of [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium?
The IUPAC name of [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium (CID 58163595) is [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium.
What is the SMILES notation for [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium?
The canonical SMILES for [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium is C[N+](C)(C)CCCCC(=O)CCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium?
The InChIKey is LZGICCYFSXAZDX-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H44NO/c1-24(2,3)21-15-14-20-23(25)19-11-9-7-5-4-6-8-10-16-22-17-12-13-18-22/h12,17,22H,4-11,13-16,18-21H2,1-3H3/q+1/t22-/m0/s1.
What are the key properties of [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium?
[15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium has a molecular weight of 350.61 g/mol, XLogP of 6.30, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [15-[(1R)-cyclopent-2-en-1-yl]-5-oxopentadecyl]-trimethylazanium is sourced from PubChem (CID 58163595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).