1-amino-2-hydroxy-2-methyltetradecan-3-one

C15H31NO2 — CID 141154227

IUPAC1-amino-2-hydroxy-2-methyltetradecan-3-one
SMILESCCCCCCCCCCCC(=O)C(C)(O)CN
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(17)15(2,18)13-16/h18H,3-13,16H2,1-2H3
InChIKeyOAVZISSOIKQRNK-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.19
Rot. Bonds12

About 1-amino-2-hydroxy-2-methyltetradecan-3-one

1-amino-2-hydroxy-2-methyltetradecan-3-one (PubChem CID 141154227) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-amino-2-hydroxy-2-methyltetradecan-3-one.

Molecular Properties

Compound Name1-amino-2-hydroxy-2-methyltetradecan-3-one
PubChem CID141154227
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-amino-2-hydroxy-2-methyltetradecan-3-one
SMILESCCCCCCCCCCCC(=O)C(C)(O)CN
InChIInChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(17)15(2,18)13-16/h18H,3-13,16H2,1-2H3
InChIKeyOAVZISSOIKQRNK-UHFFFAOYSA-N
XLogP3.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.19
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

3-(aminomethyl)-3-methylhexadecan-4-one
CID 116610959
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
3-(aminomethyl)-3-ethylhexadecan-4-one
CID 116603894
19-(1-amino-2-hydroxypropan-2-yl)-19-methylheptatriacontane-18,20-dione;sulfuric acid
CID 175238520
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
3-amino-3-methylhexadecan-4-one
CID 116590430
2,2-dimethyl-3-oxoundecanamide
CID 139713201
11-(aminomethyl)-11,12,13,13-tetrakis(decanoyl)-12-hydroxytricosane-10,14-dione
CID 88660276
3-ethyl-3-hydroxydecan-4-one
CID 103446891
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450
2-fluoro-2-methyldecan-3-one
CID 14645302

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-hydroxy-2-methyltetradecan-3-one?
The IUPAC name of 1-amino-2-hydroxy-2-methyltetradecan-3-one (CID 141154227) is 1-amino-2-hydroxy-2-methyltetradecan-3-one.
What is the SMILES notation for 1-amino-2-hydroxy-2-methyltetradecan-3-one?
The canonical SMILES for 1-amino-2-hydroxy-2-methyltetradecan-3-one is CCCCCCCCCCCC(=O)C(C)(O)CN.
What is the InChIKey of 1-amino-2-hydroxy-2-methyltetradecan-3-one?
The InChIKey is OAVZISSOIKQRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-14(17)15(2,18)13-16/h18H,3-13,16H2,1-2H3.
What are the key properties of 1-amino-2-hydroxy-2-methyltetradecan-3-one?
1-amino-2-hydroxy-2-methyltetradecan-3-one has a molecular weight of 257.42 g/mol, XLogP of 3.19, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-hydroxy-2-methyltetradecan-3-one is sourced from PubChem (CID 141154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).