2-(dimethylamino)tetradecane-1,3-diol;hydrochloride

C16H36ClNO2 — CID 173264316

IUPAC2-(dimethylamino)tetradecane-1,3-diol;hydrochloride
SMILESCCCCCCCCCCCC(O)C(CO)N(C)C.Cl
InChIInChI=1S/C16H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(14-18)17(2)3;/h15-16,18-19H,4-14H2,1-3H3;1H
InChIKeyQKPVHYVSLHSJJW-UHFFFAOYSA-N
MW309.92 g/mol
LogP3.61
Rot. Bonds13

About 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride

2-(dimethylamino)tetradecane-1,3-diol;hydrochloride (PubChem CID 173264316) has the molecular formula C16H36ClNO2 and a molecular weight of 309.92 g/mol. Its IUPAC name is 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)tetradecane-1,3-diol;hydrochloride
PubChem CID173264316
Molecular FormulaC16H36ClNO2
Molecular Weight309.92 g/mol
Exact Mass309.24
IUPAC Name2-(dimethylamino)tetradecane-1,3-diol;hydrochloride
SMILESCCCCCCCCCCCC(O)C(CO)N(C)C.Cl
InChIInChI=1S/C16H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(14-18)17(2)3;/h15-16,18-19H,4-14H2,1-3H3;1H
InChIKeyQKPVHYVSLHSJJW-UHFFFAOYSA-N
XLogP3.61
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.92
LogP ≤ 53.61
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

(2S,3S)-decane-1,2,3-triol
CID 12619492
(2R,3R)-undecane-1,2,3-triol
CID 15641124
3-(dimethylamino)decan-2-ol
CID 87744632
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
2-methyldodecane-1,3-diol
CID 14736951
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
1-(dimethylamino)pentadecan-1-ol
CID 87151804
(2S)-2-aminopentadecane-1,3-diol
CID 71424335
2-aminopentadecane-1,3-diol
CID 56979816
(2S,3R)-2-aminodocosane-1,3-diol
CID 10247786
pentadecane-4,5-diol
CID 103454846

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride?
The IUPAC name of 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride (CID 173264316) is 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride?
The canonical SMILES for 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride is CCCCCCCCCCCC(O)C(CO)N(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride?
The InChIKey is QKPVHYVSLHSJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-16(19)15(14-18)17(2)3;/h15-16,18-19H,4-14H2,1-3H3;1H.
What are the key properties of 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride?
2-(dimethylamino)tetradecane-1,3-diol;hydrochloride has a molecular weight of 309.92 g/mol, XLogP of 3.61, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)tetradecane-1,3-diol;hydrochloride is sourced from PubChem (CID 173264316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).