1-(pentadecan-2-ylamino)ethanol

C17H37NO — CID 90985657

IUPAC1-(pentadecan-2-ylamino)ethanol
SMILESCCCCCCCCCCCCCC(C)NC(C)O
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-17(3)19/h16-19H,4-15H2,1-3H3
InChIKeyUTGGCBQIERIOGO-UHFFFAOYSA-N
MW271.49 g/mol
LogP5.00
Rot. Bonds14

About 1-(pentadecan-2-ylamino)ethanol

1-(pentadecan-2-ylamino)ethanol (PubChem CID 90985657) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(pentadecan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(pentadecan-2-ylamino)ethanol
PubChem CID90985657
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name1-(pentadecan-2-ylamino)ethanol
SMILESCCCCCCCCCCCCCC(C)NC(C)O
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-17(3)19/h16-19H,4-15H2,1-3H3
InChIKeyUTGGCBQIERIOGO-UHFFFAOYSA-N
XLogP5.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(nonan-2-ylamino)ethanol;hydrochloride
CID 175146567
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-hexadecan-2-ylhydroxylamine
CID 54390562
2-(nonadecan-2-ylamino)propan-1-ol
CID 3020463
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
1-(1-hydroxyethylamino)hexan-1-ol
CID 57293401
(2R)-2-(heptan-2-ylamino)propan-1-ol
CID 114986918
1-(decan-5-ylamino)ethanol
CID 174223267
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
azane;tetradecan-2-ol
CID 172733454
2-(nonan-2-ylamino)propanoic acid
CID 61499682
(2S)-3-methyl-2-(nonan-2-ylamino)butan-1-ol
CID 79253877

Frequently Asked Questions

What is the IUPAC name of 1-(pentadecan-2-ylamino)ethanol?
The IUPAC name of 1-(pentadecan-2-ylamino)ethanol (CID 90985657) is 1-(pentadecan-2-ylamino)ethanol.
What is the SMILES notation for 1-(pentadecan-2-ylamino)ethanol?
The canonical SMILES for 1-(pentadecan-2-ylamino)ethanol is CCCCCCCCCCCCCC(C)NC(C)O.
What is the InChIKey of 1-(pentadecan-2-ylamino)ethanol?
The InChIKey is UTGGCBQIERIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)18-17(3)19/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-(pentadecan-2-ylamino)ethanol?
1-(pentadecan-2-ylamino)ethanol has a molecular weight of 271.49 g/mol, XLogP of 5.00, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentadecan-2-ylamino)ethanol is sourced from PubChem (CID 90985657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).