1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol

C24H49NO2 — CID 89311398

IUPAC1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCOCC(O)CN(C)C
InChIInChI=1S/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25(2)3/h11-12,24,26H,4-10,13-23H2,1-3H3/b12-11-
InChIKeyMZJLUJDCRVGYDK-QXMHVHEDSA-N
MW383.66 g/mol
LogP6.35
Rot. Bonds21

About 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol

1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol (PubChem CID 89311398) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
PubChem CID89311398
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC Name1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol
SMILESCCCCCCCC/C=C\CCCCCCCCCOCC(O)CN(C)C
InChIInChI=1S/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25(2)3/h11-12,24,26H,4-10,13-23H2,1-3H3/b12-11-
InChIKeyMZJLUJDCRVGYDK-QXMHVHEDSA-N
XLogP6.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
1-(dimethylamino)-4-octadeca-9,12-dienoxybutan-2-ol
CID 76763333
(2S)-1-methoxy-3-nonadec-6-enoxypropan-2-ol
CID 91608412
3-[(E)-octadec-11-enoxy]propane-1,2-diol
CID 50987897
(2S)-3-[(Z)-icos-9-enoxy]propane-1,2-diol
CID 101143228
3-[(E)-hexadec-7-enoxy]propane-1,2-diol
CID 10470922
(2R)-N,N-dimethyl-2,3-bis[(Z)-octadec-9-enoxy]propan-1-amine
CID 97102276
(Z)-1-(dimethylamino)icos-11-en-2-ol
CID 90344729
(2R)-1-octadeca-9,12-dienoxyundecan-2-ol
CID 123987134
N,N-dimethyl-2,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-1-amine
CID 71611856
1-[(Z)-docos-13-enoxy]-N,N-dimethyl-3-octoxypropan-2-amine
CID 89480635
3-[(E)-dec-5-enoxy]propane-1,2-diol
CID 101275410

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol (CID 89311398) is 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol is CCCCCCCC/C=C\CCCCCCCCCOCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol?
The InChIKey is MZJLUJDCRVGYDK-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H49NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-23-24(26)22-25(2)3/h11-12,24,26H,4-10,13-23H2,1-3H3/b12-11-.
What are the key properties of 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol?
1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol has a molecular weight of 383.66 g/mol, XLogP of 6.35, 21 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(Z)-nonadec-10-enoxy]propan-2-ol is sourced from PubChem (CID 89311398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).