1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one

C14H21NO2 — CID 130537598

IUPAC1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
SMILESCC(C)(CN)C(=O)CCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,11-15)13(16)8-9-17-10-12-6-4-3-5-7-12/h3-7H,8-11,15H2,1-2H3
InChIKeyFYHQJQOTBUWTGR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.15
Rot. Bonds7

About 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one

1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one (PubChem CID 130537598) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one.

Molecular Properties

Compound Name1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
PubChem CID130537598
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one
SMILESCC(C)(CN)C(=O)CCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-14(2,11-15)13(16)8-9-17-10-12-6-4-3-5-7-12/h3-7H,8-11,15H2,1-2H3
InChIKeyFYHQJQOTBUWTGR-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-hydroxy-3-phenylmethoxypropanamide
CID 59082883
1-phenylmethoxyhexane-3,4-dione
CID 561127
2,2-dimethyl-3-phenylmethoxypropanoic acid
CID 13478288
3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoic acid
CID 14462373
3-[2-(2-phenylmethoxyethoxy)ethoxy]propanoic acid
CID 14462372
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
3-(3-phenylmethoxypropanoylamino)propanoic acid
CID 75417899
4-phenylmethoxybutyl 2,2-dimethylpropanoate
CID 56837525
1-phenyl-4-phenylmethoxybutan-2-one
CID 134894703
1-bromo-3,3-dimethyl-4-phenylmethoxybutan-2-one
CID 134460062
2-hydroxy-2-methyl-3-oxo-4-phenylmethoxybutanoic acid
CID 175175859

Frequently Asked Questions

What is the IUPAC name of 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one?
The IUPAC name of 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one (CID 130537598) is 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one.
What is the SMILES notation for 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one?
The canonical SMILES for 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one is CC(C)(CN)C(=O)CCOCc1ccccc1.
What is the InChIKey of 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one?
The InChIKey is FYHQJQOTBUWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,11-15)13(16)8-9-17-10-12-6-4-3-5-7-12/h3-7H,8-11,15H2,1-2H3.
What are the key properties of 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one?
1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2,2-dimethyl-5-phenylmethoxypentan-3-one is sourced from PubChem (CID 130537598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).