17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one

C24H45NO — CID 58163580

IUPAC17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one
SMILESCN(C)CCCCC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C24H45NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h13,18,23H,3-12,14-17,19-22H2,1-2H3/t23-/m0/s1
InChIKeyJZWWXEUAHMQPTH-QHCPKHFHSA-N
MW363.63 g/mol
LogP6.93
Rot. Bonds18

About 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one

17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one (PubChem CID 58163580) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one.

Molecular Properties

Compound Name17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one
PubChem CID58163580
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one
SMILESCN(C)CCCCC(=O)CCCCCCCCCCCC[C@H]1C=CCC1
InChIInChI=1S/C24H45NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h13,18,23H,3-12,14-17,19-22H2,1-2H3/t23-/m0/s1
InChIKeyJZWWXEUAHMQPTH-QHCPKHFHSA-N
XLogP6.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one?
The IUPAC name of 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one (CID 58163580) is 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one.
What is the SMILES notation for 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one?
The canonical SMILES for 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one is CN(C)CCCCC(=O)CCCCCCCCCCCC[C@H]1C=CCC1.
What is the InChIKey of 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one?
The InChIKey is JZWWXEUAHMQPTH-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H45NO/c1-25(2)22-16-15-21-24(26)20-12-10-8-6-4-3-5-7-9-11-17-23-18-13-14-19-23/h13,18,23H,3-12,14-17,19-22H2,1-2H3/t23-/m0/s1.
What are the key properties of 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one?
17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one has a molecular weight of 363.63 g/mol, XLogP of 6.93, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-[(1R)-cyclopent-2-en-1-yl]-1-(dimethylamino)heptadecan-5-one is sourced from PubChem (CID 58163580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).