2-(tetradecylamino)ethane-1,1,1-triol

C16H35NO3 — CID 54121591

IUPAC2-(tetradecylamino)ethane-1,1,1-triol
SMILESCCCCCCCCCCCCCCNCC(O)(O)O
InChIInChI=1S/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18,19)20/h17-20H,2-15H2,1H3
InChIKeyNOBSZRRPTPDGHM-UHFFFAOYSA-N
MW289.46 g/mol
LogP2.91
Rot. Bonds15

About 2-(tetradecylamino)ethane-1,1,1-triol

2-(tetradecylamino)ethane-1,1,1-triol (PubChem CID 54121591) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-(tetradecylamino)ethane-1,1,1-triol.

Molecular Properties

Compound Name2-(tetradecylamino)ethane-1,1,1-triol
PubChem CID54121591
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name2-(tetradecylamino)ethane-1,1,1-triol
SMILESCCCCCCCCCCCCCCNCC(O)(O)O
InChIInChI=1S/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18,19)20/h17-20H,2-15H2,1H3
InChIKeyNOBSZRRPTPDGHM-UHFFFAOYSA-N
XLogP2.91
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 52.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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CID 87300700
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of 2-(tetradecylamino)ethane-1,1,1-triol?
The IUPAC name of 2-(tetradecylamino)ethane-1,1,1-triol (CID 54121591) is 2-(tetradecylamino)ethane-1,1,1-triol.
What is the SMILES notation for 2-(tetradecylamino)ethane-1,1,1-triol?
The canonical SMILES for 2-(tetradecylamino)ethane-1,1,1-triol is CCCCCCCCCCCCCCNCC(O)(O)O.
What is the InChIKey of 2-(tetradecylamino)ethane-1,1,1-triol?
The InChIKey is NOBSZRRPTPDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-15-16(18,19)20/h17-20H,2-15H2,1H3.
What are the key properties of 2-(tetradecylamino)ethane-1,1,1-triol?
2-(tetradecylamino)ethane-1,1,1-triol has a molecular weight of 289.46 g/mol, XLogP of 2.91, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecylamino)ethane-1,1,1-triol is sourced from PubChem (CID 54121591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).