8-amino-1-phenyloctan-4-one

C14H21NO — CID 116571907

IUPAC8-amino-1-phenyloctan-4-one
SMILESNCCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c15-12-5-4-10-14(16)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2
InChIKeyILIMBXRQRNHOGT-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.71
Rot. Bonds8

About 8-amino-1-phenyloctan-4-one

8-amino-1-phenyloctan-4-one (PubChem CID 116571907) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 8-amino-1-phenyloctan-4-one.

Molecular Properties

Compound Name8-amino-1-phenyloctan-4-one
PubChem CID116571907
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name8-amino-1-phenyloctan-4-one
SMILESNCCCCC(=O)CCCc1ccccc1
InChIInChI=1S/C14H21NO/c15-12-5-4-10-14(16)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2
InChIKeyILIMBXRQRNHOGT-UHFFFAOYSA-N
XLogP2.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.71
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

1,9-diphenylnonan-5-one
CID 23467830
6-amino-1-phenylhexan-2-one
CID 57063081
(6S)-6,9-diamino-1-phenylnonan-4-one
CID 157262351
9-amino-7,7-dimethyl-1-phenylnonan-4-one
CID 116574757
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
6-phenyl-1-pyridin-4-ylhexan-3-one
CID 105093114
13-phenyltridecan-1-amine
CID 19801439
4-phenylbutan-1-amine;hydrochloride
CID 44630065
6-oxo-9-phenylnonanenitrile
CID 12034522
benzene;3-phenylpropan-1-amine
CID 174865683
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
1-(methylamino)-7-phenylheptan-4-one
CID 116555547

Frequently Asked Questions

What is the IUPAC name of 8-amino-1-phenyloctan-4-one?
The IUPAC name of 8-amino-1-phenyloctan-4-one (CID 116571907) is 8-amino-1-phenyloctan-4-one.
What is the SMILES notation for 8-amino-1-phenyloctan-4-one?
The canonical SMILES for 8-amino-1-phenyloctan-4-one is NCCCCC(=O)CCCc1ccccc1.
What is the InChIKey of 8-amino-1-phenyloctan-4-one?
The InChIKey is ILIMBXRQRNHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c15-12-5-4-10-14(16)11-6-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12,15H2.
What are the key properties of 8-amino-1-phenyloctan-4-one?
8-amino-1-phenyloctan-4-one has a molecular weight of 219.33 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-phenyloctan-4-one is sourced from PubChem (CID 116571907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).