2-(2-methyltridecan-2-ylamino)ethanol

C16H35NO — CID 3026561

IUPAC2-(2-methyltridecan-2-ylamino)ethanol
SMILESCCCCCCCCCCCC(C)(C)NCCO
InChIInChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(2,3)17-14-15-18/h17-18H,4-15H2,1-3H3
InChIKeySLRFKOQWZHJPKY-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.27
Rot. Bonds13

About 2-(2-methyltridecan-2-ylamino)ethanol

2-(2-methyltridecan-2-ylamino)ethanol (PubChem CID 3026561) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-(2-methyltridecan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(2-methyltridecan-2-ylamino)ethanol
PubChem CID3026561
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-(2-methyltridecan-2-ylamino)ethanol
SMILESCCCCCCCCCCCC(C)(C)NCCO
InChIInChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(2,3)17-14-15-18/h17-18H,4-15H2,1-3H3
InChIKeySLRFKOQWZHJPKY-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltridecan-2-ylamino)ethanol?
The IUPAC name of 2-(2-methyltridecan-2-ylamino)ethanol (CID 3026561) is 2-(2-methyltridecan-2-ylamino)ethanol.
What is the SMILES notation for 2-(2-methyltridecan-2-ylamino)ethanol?
The canonical SMILES for 2-(2-methyltridecan-2-ylamino)ethanol is CCCCCCCCCCCC(C)(C)NCCO.
What is the InChIKey of 2-(2-methyltridecan-2-ylamino)ethanol?
The InChIKey is SLRFKOQWZHJPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-5-6-7-8-9-10-11-12-13-16(2,3)17-14-15-18/h17-18H,4-15H2,1-3H3.
What are the key properties of 2-(2-methyltridecan-2-ylamino)ethanol?
2-(2-methyltridecan-2-ylamino)ethanol has a molecular weight of 257.46 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltridecan-2-ylamino)ethanol is sourced from PubChem (CID 3026561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).