2-amino-1-phenyldecan-3-one;hydrochloride

C16H26ClNO — CID 3073894

IUPAC2-amino-1-phenyldecan-3-one;hydrochloride
SMILESCCCCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-2-3-4-5-9-12-16(18)15(17)13-14-10-7-6-8-11-14;/h6-8,10-11,15H,2-5,9,12-13,17H2,1H3;1H
InChIKeyKTWAONVCBWMWLU-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.91
Rot. Bonds9

About 2-amino-1-phenyldecan-3-one;hydrochloride

2-amino-1-phenyldecan-3-one;hydrochloride (PubChem CID 3073894) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 2-amino-1-phenyldecan-3-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-phenyldecan-3-one;hydrochloride
PubChem CID3073894
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name2-amino-1-phenyldecan-3-one;hydrochloride
SMILESCCCCCCCC(=O)C(N)Cc1ccccc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-2-3-4-5-9-12-16(18)15(17)13-14-10-7-6-8-11-14;/h6-8,10-11,15H,2-5,9,12-13,17H2,1H3;1H
InChIKeyKTWAONVCBWMWLU-UHFFFAOYSA-N
XLogP3.91
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.91
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-1-phenylheptan-3-one;hydrochloride
CID 142731464
(2S)-2-amino-3-phenylpropanoic acid;decanoic acid
CID 121267394
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
sodium;(2S)-2-amino-3-phenylpropanoate;decanoic acid
CID 89052494
ethyl (2R)-2-benzyl-3-oxononanoate
CID 102294335
docosyl (2S)-2-amino-3-phenylpropanoate
CID 139923900
ethane;hexyl 2-amino-3-phenylpropanoate
CID 162724773
(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875
(2R)-2-amino-N-octan-2-yl-3-phenylpropanamide
CID 78985477
2-amino-N-octan-2-yl-3-phenylpropanamide
CID 43711429
2-amino-5-ethoxy-1-phenylpentan-3-one
CID 129147916

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenyldecan-3-one;hydrochloride?
The IUPAC name of 2-amino-1-phenyldecan-3-one;hydrochloride (CID 3073894) is 2-amino-1-phenyldecan-3-one;hydrochloride.
What is the SMILES notation for 2-amino-1-phenyldecan-3-one;hydrochloride?
The canonical SMILES for 2-amino-1-phenyldecan-3-one;hydrochloride is CCCCCCCC(=O)C(N)Cc1ccccc1.Cl.
What is the InChIKey of 2-amino-1-phenyldecan-3-one;hydrochloride?
The InChIKey is KTWAONVCBWMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-2-3-4-5-9-12-16(18)15(17)13-14-10-7-6-8-11-14;/h6-8,10-11,15H,2-5,9,12-13,17H2,1H3;1H.
What are the key properties of 2-amino-1-phenyldecan-3-one;hydrochloride?
2-amino-1-phenyldecan-3-one;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenyldecan-3-one;hydrochloride is sourced from PubChem (CID 3073894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).