3-[3-(diethylamino)propyl]pentadecan-1-ol

C22H47NO — CID 118181955

IUPAC3-[3-(diethylamino)propyl]pentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)CCCN(CC)CC
InChIInChI=1S/C22H47NO/c1-4-7-8-9-10-11-12-13-14-15-17-22(19-21-24)18-16-20-23(5-2)6-3/h22,24H,4-21H2,1-3H3
InChIKeyVGJSIILBYCHHHJ-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.42
Rot. Bonds19

About 3-[3-(diethylamino)propyl]pentadecan-1-ol

3-[3-(diethylamino)propyl]pentadecan-1-ol (PubChem CID 118181955) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]pentadecan-1-ol.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]pentadecan-1-ol
PubChem CID118181955
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name3-[3-(diethylamino)propyl]pentadecan-1-ol
SMILESCCCCCCCCCCCCC(CCO)CCCN(CC)CC
InChIInChI=1S/C22H47NO/c1-4-7-8-9-10-11-12-13-14-15-17-22(19-21-24)18-16-20-23(5-2)6-3/h22,24H,4-21H2,1-3H3
InChIKeyVGJSIILBYCHHHJ-UHFFFAOYSA-N
XLogP6.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-(diethylamino)-3-ethylhexan-1-ol
CID 118889911
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
2-[4-dodecylhexadecyl(tetradecyl)amino]ethanol
CID 166893886
7-(diethylamino)-3-ethylheptan-1-ol
CID 144711867
N-ethyl-N-heptadecyl-9-octylheptadecan-1-amine
CID 168924760
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
3-octyldodecane-1,12-diol
CID 141481121
3-propyloctan-1-ol
CID 22492569
(2R)-2-heptylbutane-1,4-diol
CID 129405629

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]pentadecan-1-ol?
The IUPAC name of 3-[3-(diethylamino)propyl]pentadecan-1-ol (CID 118181955) is 3-[3-(diethylamino)propyl]pentadecan-1-ol.
What is the SMILES notation for 3-[3-(diethylamino)propyl]pentadecan-1-ol?
The canonical SMILES for 3-[3-(diethylamino)propyl]pentadecan-1-ol is CCCCCCCCCCCCC(CCO)CCCN(CC)CC.
What is the InChIKey of 3-[3-(diethylamino)propyl]pentadecan-1-ol?
The InChIKey is VGJSIILBYCHHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-4-7-8-9-10-11-12-13-14-15-17-22(19-21-24)18-16-20-23(5-2)6-3/h22,24H,4-21H2,1-3H3.
What are the key properties of 3-[3-(diethylamino)propyl]pentadecan-1-ol?
3-[3-(diethylamino)propyl]pentadecan-1-ol has a molecular weight of 341.62 g/mol, XLogP of 6.42, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]pentadecan-1-ol is sourced from PubChem (CID 118181955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).