1-amino-5,5-dimethyl-1-phenylhexan-2-one

C14H21NO — CID 116551117

IUPAC1-amino-5,5-dimethyl-1-phenylhexan-2-one
SMILESCC(C)(C)CCC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-9-12(16)13(15)11-7-5-4-6-8-11/h4-8,13H,9-10,15H2,1-3H3
InChIKeyRMYWRPWGNPUMNF-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds4

About 1-amino-5,5-dimethyl-1-phenylhexan-2-one

1-amino-5,5-dimethyl-1-phenylhexan-2-one (PubChem CID 116551117) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-amino-5,5-dimethyl-1-phenylhexan-2-one.

Molecular Properties

Compound Name1-amino-5,5-dimethyl-1-phenylhexan-2-one
PubChem CID116551117
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-amino-5,5-dimethyl-1-phenylhexan-2-one
SMILESCC(C)(C)CCC(=O)C(N)c1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-9-12(16)13(15)11-7-5-4-6-8-11/h4-8,13H,9-10,15H2,1-3H3
InChIKeyRMYWRPWGNPUMNF-UHFFFAOYSA-N
XLogP3.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-5,5-dimethyl-1-thiophen-2-ylhexan-2-one
CID 116601453
1-amino-1-phenylheptan-2-one
CID 116551276
N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
CID 119529676
(1R)-1-amino-3-methoxy-1-phenylpropan-2-one
CID 104891033
1-hydroxy-4,4-dimethyl-1-phenylpentan-2-one
CID 58128890
(1R)-1-amino-4-methyl-1-phenylhexan-2-one
CID 104891009
1-amino-4-methyl-1-phenylhexan-2-one
CID 116551142
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
3-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methylbutanamide
CID 106096490
1-amino-4-(2-methylpyrazol-3-yl)-1-phenylbutan-2-one
CID 103023503

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5-dimethyl-1-phenylhexan-2-one?
The IUPAC name of 1-amino-5,5-dimethyl-1-phenylhexan-2-one (CID 116551117) is 1-amino-5,5-dimethyl-1-phenylhexan-2-one.
What is the SMILES notation for 1-amino-5,5-dimethyl-1-phenylhexan-2-one?
The canonical SMILES for 1-amino-5,5-dimethyl-1-phenylhexan-2-one is CC(C)(C)CCC(=O)C(N)c1ccccc1.
What is the InChIKey of 1-amino-5,5-dimethyl-1-phenylhexan-2-one?
The InChIKey is RMYWRPWGNPUMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)10-9-12(16)13(15)11-7-5-4-6-8-11/h4-8,13H,9-10,15H2,1-3H3.
What are the key properties of 1-amino-5,5-dimethyl-1-phenylhexan-2-one?
1-amino-5,5-dimethyl-1-phenylhexan-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5-dimethyl-1-phenylhexan-2-one is sourced from PubChem (CID 116551117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).