2-amino-2-tridecoxyethanol

C15H33NO2 — CID 121414991

IUPAC2-amino-2-tridecoxyethanol
SMILESCCCCCCCCCCCCCOC(N)CO
InChIInChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15(16)14-17/h15,17H,2-14,16H2,1H3
InChIKeyPRNHOUDCPPTYHD-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.59
Rot. Bonds14

About 2-amino-2-tridecoxyethanol

2-amino-2-tridecoxyethanol (PubChem CID 121414991) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 2-amino-2-tridecoxyethanol.

Molecular Properties

Compound Name2-amino-2-tridecoxyethanol
PubChem CID121414991
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name2-amino-2-tridecoxyethanol
SMILESCCCCCCCCCCCCCOC(N)CO
InChIInChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15(16)14-17/h15,17H,2-14,16H2,1H3
InChIKeyPRNHOUDCPPTYHD-UHFFFAOYSA-N
XLogP3.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.59
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-tetradecoxypropan-1-amine;hydrobromide
CID 173193932
2-hexadecoxypropane-1,3-diol
CID 12924931
2-(1-aminohexoxy)ethanol
CID 87099968
1-amino-1-octoxypropan-2-ol
CID 174604466
1-pentoxybutane-1,4-diamine
CID 141071878
octoxymethanediamine
CID 142625053
methane;2-octadecoxypropan-1-ol
CID 178185801
3-amino-2-hexoxy-4-methoxybutan-1-ol
CID 114358118
(2S)-3-methoxy-2-octadecoxypropan-1-ol
CID 22837281
(2S,3S,4S,5R)-2,5-di(nonoxy)hexane-1,3,4,6-tetrol
CID 175531662
2-tetradecoxydecan-1-ol
CID 155667265
1-hexadecoxypropane-1,2,3-triol
CID 22599446

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-tridecoxyethanol?
The IUPAC name of 2-amino-2-tridecoxyethanol (CID 121414991) is 2-amino-2-tridecoxyethanol.
What is the SMILES notation for 2-amino-2-tridecoxyethanol?
The canonical SMILES for 2-amino-2-tridecoxyethanol is CCCCCCCCCCCCCOC(N)CO.
What is the InChIKey of 2-amino-2-tridecoxyethanol?
The InChIKey is PRNHOUDCPPTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-15(16)14-17/h15,17H,2-14,16H2,1H3.
What are the key properties of 2-amino-2-tridecoxyethanol?
2-amino-2-tridecoxyethanol has a molecular weight of 259.43 g/mol, XLogP of 3.59, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-tridecoxyethanol is sourced from PubChem (CID 121414991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).