1-(dimethylamino)-1-octadecoxypropan-2-ol

C23H49NO2 — CID 87463227

IUPAC1-(dimethylamino)-1-octadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC(C(C)O)N(C)C
InChIInChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23(22(2)25)24(3)4/h22-23,25H,5-21H2,1-4H3
InChIKeyWFWNHGIKEFTMDT-UHFFFAOYSA-N
MW371.65 g/mol
LogP6.53
Rot. Bonds20

About 1-(dimethylamino)-1-octadecoxypropan-2-ol

1-(dimethylamino)-1-octadecoxypropan-2-ol (PubChem CID 87463227) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 1-(dimethylamino)-1-octadecoxypropan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-octadecoxypropan-2-ol
PubChem CID87463227
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC Name1-(dimethylamino)-1-octadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC(C(C)O)N(C)C
InChIInChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23(22(2)25)24(3)4/h22-23,25H,5-21H2,1-4H3
InChIKeyWFWNHGIKEFTMDT-UHFFFAOYSA-N
XLogP6.53
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-octoxybutan-2-ol
CID 54496266
1-heptacontoxyethanol
CID 169098461
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
1-pentoxyethanol
CID 19598527
1-(dimethylamino)-1-[3-[dimethyl(2-trimethylsilylethyl)silyl]propoxy]propan-2-ol
CID 87588836
1-[2,2-dioctadecoxyethyl(methyl)amino]ethanol
CID 18520980
1-(1-hexoxyethoxy)ethanol
CID 22559456
3-(dimethylamino)decan-2-ol
CID 87744632
N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
1-undecoxypropan-1-ol
CID 139971923
1-heptoxypropan-1-ol
CID 19598529

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-octadecoxypropan-2-ol?
The IUPAC name of 1-(dimethylamino)-1-octadecoxypropan-2-ol (CID 87463227) is 1-(dimethylamino)-1-octadecoxypropan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-1-octadecoxypropan-2-ol?
The canonical SMILES for 1-(dimethylamino)-1-octadecoxypropan-2-ol is CCCCCCCCCCCCCCCCCCOC(C(C)O)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-octadecoxypropan-2-ol?
The InChIKey is WFWNHGIKEFTMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-23(22(2)25)24(3)4/h22-23,25H,5-21H2,1-4H3.
What are the key properties of 1-(dimethylamino)-1-octadecoxypropan-2-ol?
1-(dimethylamino)-1-octadecoxypropan-2-ol has a molecular weight of 371.65 g/mol, XLogP of 6.53, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-octadecoxypropan-2-ol is sourced from PubChem (CID 87463227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).