4-(dimethylamino)pentadecane-1,2-diol

C17H37NO2 — CID 90024616

IUPAC4-(dimethylamino)pentadecane-1,2-diol
SMILESCCCCCCCCCCCC(CC(O)CO)N(C)C
InChIInChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17(20)15-19/h16-17,19-20H,4-15H2,1-3H3
InChIKeyDXFZDVUZTUMGIF-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.58
Rot. Bonds14

About 4-(dimethylamino)pentadecane-1,2-diol

4-(dimethylamino)pentadecane-1,2-diol (PubChem CID 90024616) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-(dimethylamino)pentadecane-1,2-diol.

Molecular Properties

Compound Name4-(dimethylamino)pentadecane-1,2-diol
PubChem CID90024616
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name4-(dimethylamino)pentadecane-1,2-diol
SMILESCCCCCCCCCCCC(CC(O)CO)N(C)C
InChIInChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17(20)15-19/h16-17,19-20H,4-15H2,1-3H3
InChIKeyDXFZDVUZTUMGIF-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(dimethylamino)henicosan-2-ol
CID 87772993
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
(2R)-octane-1,2-diol
CID 6994435
(2R)-decane-1,2-diol
CID 10888425
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
(2R)-nonadecane-1,2-diol
CID 124511707
octane-1,2-diol
CID 159791136
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
triacontane-1,2-diol
CID 19770548
tricosane-1,2-diol
CID 42607324
N,N-dimethylicosan-5-amine
CID 19862397

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)pentadecane-1,2-diol?
The IUPAC name of 4-(dimethylamino)pentadecane-1,2-diol (CID 90024616) is 4-(dimethylamino)pentadecane-1,2-diol.
What is the SMILES notation for 4-(dimethylamino)pentadecane-1,2-diol?
The canonical SMILES for 4-(dimethylamino)pentadecane-1,2-diol is CCCCCCCCCCCC(CC(O)CO)N(C)C.
What is the InChIKey of 4-(dimethylamino)pentadecane-1,2-diol?
The InChIKey is DXFZDVUZTUMGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-4-5-6-7-8-9-10-11-12-13-16(18(2)3)14-17(20)15-19/h16-17,19-20H,4-15H2,1-3H3.
What are the key properties of 4-(dimethylamino)pentadecane-1,2-diol?
4-(dimethylamino)pentadecane-1,2-diol has a molecular weight of 287.49 g/mol, XLogP of 3.58, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)pentadecane-1,2-diol is sourced from PubChem (CID 90024616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).