2-amino-2-methyloctadecan-3-one

C19H39NO — CID 175961283

IUPAC2-amino-2-methyloctadecan-3-one
SMILESCCCCCCCCCCCCCCCC(=O)C(C)(C)N
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19(2,3)20/h4-17,20H2,1-3H3
InChIKeyLKJSKMILXMHAKS-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.77
Rot. Bonds15

About 2-amino-2-methyloctadecan-3-one

2-amino-2-methyloctadecan-3-one (PubChem CID 175961283) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 2-amino-2-methyloctadecan-3-one.

Molecular Properties

Compound Name2-amino-2-methyloctadecan-3-one
PubChem CID175961283
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name2-amino-2-methyloctadecan-3-one
SMILESCCCCCCCCCCCCCCCC(=O)C(C)(C)N
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19(2,3)20/h4-17,20H2,1-3H3
InChIKeyLKJSKMILXMHAKS-UHFFFAOYSA-N
XLogP5.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methylpentadecan-3-one
CID 116560229
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
3-amino-3-methylhexadecan-4-one
CID 116590430
3-amino-3-methylnonan-4-one
CID 116590428
2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
CID 116593074
2,2-dimethyl-3-oxoundecanamide
CID 139713201
2-fluoro-2-methyldecan-3-one
CID 14645302
3,3-diamino-4-oxononadecanoic acid
CID 118609165
1-amino-2-hydroxy-2-methyltetradecan-3-one
CID 141154227
19-amino-19-methylheptatriaconta-9,28-diene-18,20-dione
CID 173351868
5,5-dimethyltridecan-6-one
CID 19931387
3-(aminomethyl)-3-methylhexadecan-4-one
CID 116610959

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyloctadecan-3-one?
The IUPAC name of 2-amino-2-methyloctadecan-3-one (CID 175961283) is 2-amino-2-methyloctadecan-3-one.
What is the SMILES notation for 2-amino-2-methyloctadecan-3-one?
The canonical SMILES for 2-amino-2-methyloctadecan-3-one is CCCCCCCCCCCCCCCC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methyloctadecan-3-one?
The InChIKey is LKJSKMILXMHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)19(2,3)20/h4-17,20H2,1-3H3.
What are the key properties of 2-amino-2-methyloctadecan-3-one?
2-amino-2-methyloctadecan-3-one has a molecular weight of 297.53 g/mol, XLogP of 5.77, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyloctadecan-3-one is sourced from PubChem (CID 175961283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).