2-amino-2-methylpentadecan-3-one

C16H33NO — CID 116560229

IUPAC2-amino-2-methylpentadecan-3-one
SMILESCCCCCCCCCCCCC(=O)C(C)(C)N
InChIInChI=1S/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(18)16(2,3)17/h4-14,17H2,1-3H3
InChIKeyPRYLPNLKRCHEFL-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.60
Rot. Bonds12

About 2-amino-2-methylpentadecan-3-one

2-amino-2-methylpentadecan-3-one (PubChem CID 116560229) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-amino-2-methylpentadecan-3-one.

Molecular Properties

Compound Name2-amino-2-methylpentadecan-3-one
PubChem CID116560229
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-amino-2-methylpentadecan-3-one
SMILESCCCCCCCCCCCCC(=O)C(C)(C)N
InChIInChI=1S/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(18)16(2,3)17/h4-14,17H2,1-3H3
InChIKeyPRYLPNLKRCHEFL-UHFFFAOYSA-N
XLogP4.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.60
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-methyloctadecan-3-one
CID 175961283
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-methylpentadecan-3-one?
The IUPAC name of 2-amino-2-methylpentadecan-3-one (CID 116560229) is 2-amino-2-methylpentadecan-3-one.
What is the SMILES notation for 2-amino-2-methylpentadecan-3-one?
The canonical SMILES for 2-amino-2-methylpentadecan-3-one is CCCCCCCCCCCCC(=O)C(C)(C)N.
What is the InChIKey of 2-amino-2-methylpentadecan-3-one?
The InChIKey is PRYLPNLKRCHEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(18)16(2,3)17/h4-14,17H2,1-3H3.
What are the key properties of 2-amino-2-methylpentadecan-3-one?
2-amino-2-methylpentadecan-3-one has a molecular weight of 255.45 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpentadecan-3-one is sourced from PubChem (CID 116560229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).