1-[1-hydroxyoctyl(methyl)amino]octan-1-ol

C17H37NO2 — CID 57193649

IUPAC1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
SMILESCCCCCCCC(O)N(C)C(O)CCCCCCC
InChIInChI=1S/C17H37NO2/c1-4-6-8-10-12-14-16(19)18(3)17(20)15-13-11-9-7-5-2/h16-17,19-20H,4-15H2,1-3H3
InChIKeyXAWZSMICNZCUPC-UHFFFAOYSA-N
MW287.49 g/mol
LogP4.28
Rot. Bonds14

About 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol

1-[1-hydroxyoctyl(methyl)amino]octan-1-ol (PubChem CID 57193649) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol.

Molecular Properties

Compound Name1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
PubChem CID57193649
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name1-[1-hydroxyoctyl(methyl)amino]octan-1-ol
SMILESCCCCCCCC(O)N(C)C(O)CCCCCCC
InChIInChI=1S/C17H37NO2/c1-4-6-8-10-12-14-16(19)18(3)17(20)15-13-11-9-7-5-2/h16-17,19-20H,4-15H2,1-3H3
InChIKeyXAWZSMICNZCUPC-UHFFFAOYSA-N
XLogP4.28
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 54.28
H-Bond Donors ≤ 52
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

1-[1-hydroxypentyl(methyl)amino]pentan-1-ol
CID 87112081
1-(dimethylamino)pentadecan-1-ol
CID 87151804
1-[[bis(1-hydroxyheptyl)amino]-(1-hydroxyoctyl)amino]octan-1-ol
CID 87743534
1-[ethyl(hydroxy)amino]heptan-1-ol
CID 174750340
1-phosphanylhexadecan-1-ol
CID 174908486
1-phosphanyltridecan-1-ol
CID 174895856
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
(7R)-hexatriacontan-7-ol
CID 88529159

Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol?
The IUPAC name of 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol (CID 57193649) is 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol.
What is the SMILES notation for 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol?
The canonical SMILES for 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol is CCCCCCCC(O)N(C)C(O)CCCCCCC.
What is the InChIKey of 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol?
The InChIKey is XAWZSMICNZCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-4-6-8-10-12-14-16(19)18(3)17(20)15-13-11-9-7-5-2/h16-17,19-20H,4-15H2,1-3H3.
What are the key properties of 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol?
1-[1-hydroxyoctyl(methyl)amino]octan-1-ol has a molecular weight of 287.49 g/mol, XLogP of 4.28, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyoctyl(methyl)amino]octan-1-ol is sourced from PubChem (CID 57193649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).