1-amino-1-phenylheptan-2-one

C13H19NO — CID 116551276

IUPAC1-amino-1-phenylheptan-2-one
SMILESCCCCCC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-5-10-12(15)13(14)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10,14H2,1H3
InChIKeySSXKJLNNDJPPMG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.84
Rot. Bonds6

About 1-amino-1-phenylheptan-2-one

1-amino-1-phenylheptan-2-one (PubChem CID 116551276) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-amino-1-phenylheptan-2-one.

Molecular Properties

Compound Name1-amino-1-phenylheptan-2-one
PubChem CID116551276
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-amino-1-phenylheptan-2-one
SMILESCCCCCC(=O)C(N)c1ccccc1
InChIInChI=1S/C13H19NO/c1-2-3-5-10-12(15)13(14)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10,14H2,1H3
InChIKeySSXKJLNNDJPPMG-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.84
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

1-amino-2-phenylundecan-3-one
CID 116566909
1-chloro-1-phenyldecan-2-one
CID 81235866
3-phenyltetradecan-4-one
CID 114968845
1-chloro-1-phenylnonan-2-one
CID 81236884
2,3-didodecyl-1-phenylpentadec-2-en-1-amine
CID 18692902
1-amino-5,5-dimethyl-1-phenylhexan-2-one
CID 116551117
cumene;octanoic acid
CID 174815768
(2S)-2-amino-N-decyl-2-phenylacetamide
CID 104898142
(1S,2S)-1-hydroxy-2-methyl-1-phenylnonan-3-one
CID 102384202
2-methyl-4-phenyldecan-5-one
CID 175352694
2-amino-2-phenylacetate;tetrabutylazanium
CID 141256319
2-methyl-3-phenyloctadec-1-en-4-one
CID 23168846

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-phenylheptan-2-one?
The IUPAC name of 1-amino-1-phenylheptan-2-one (CID 116551276) is 1-amino-1-phenylheptan-2-one.
What is the SMILES notation for 1-amino-1-phenylheptan-2-one?
The canonical SMILES for 1-amino-1-phenylheptan-2-one is CCCCCC(=O)C(N)c1ccccc1.
What is the InChIKey of 1-amino-1-phenylheptan-2-one?
The InChIKey is SSXKJLNNDJPPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-5-10-12(15)13(14)11-8-6-4-7-9-11/h4,6-9,13H,2-3,5,10,14H2,1H3.
What are the key properties of 1-amino-1-phenylheptan-2-one?
1-amino-1-phenylheptan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-phenylheptan-2-one is sourced from PubChem (CID 116551276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).