16-amino-1-cyclohexylhexadecan-1-one

C22H43NO — CID 53432240

IUPAC16-amino-1-cyclohexylhexadecan-1-one
SMILESNCCCCCCCCCCCCCCCC(=O)C1CCCCC1
InChIInChI=1S/C22H43NO/c23-20-16-11-9-7-5-3-1-2-4-6-8-10-15-19-22(24)21-17-13-12-14-18-21/h21H,1-20,23H2
InChIKeyRYVGWQDLAVSRHO-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.56
Rot. Bonds16

About 16-amino-1-cyclohexylhexadecan-1-one

16-amino-1-cyclohexylhexadecan-1-one (PubChem CID 53432240) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 16-amino-1-cyclohexylhexadecan-1-one.

Molecular Properties

Compound Name16-amino-1-cyclohexylhexadecan-1-one
PubChem CID53432240
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name16-amino-1-cyclohexylhexadecan-1-one
SMILESNCCCCCCCCCCCCCCCC(=O)C1CCCCC1
InChIInChI=1S/C22H43NO/c23-20-16-11-9-7-5-3-1-2-4-6-8-10-15-19-22(24)21-17-13-12-14-18-21/h21H,1-20,23H2
InChIKeyRYVGWQDLAVSRHO-UHFFFAOYSA-N
XLogP6.56
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.56
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

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2-Amino-1-cyclohexylethan-1-one
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1-Amino-3-cyclohexylpropan-2-one hydrochloride
CID 126801800
(1R,5S)-7-(aminomethyl)bicyclo[3.3.1]nonan-3-one
CID 12209074
4-(2-Aminoethyl)cyclohexane-1,2-dione
CID 53761104
2-(2-Aminoethyl)cyclohexan-1-one
CID 82418044
1-Amino-3-cyclohexylpropan-2-one
CID 65179628
N-isovaleroylnonylamine
CID 129775795
7-Amino-1-(3,3-difluorocyclohexyl)-5-methylheptan-2-one
CID 114225571
1-[4-(Aminomethyl)cyclohexyl]-5,5,5-trifluoropentan-1-one
CID 116592459
1-[4-(Aminomethyl)cyclohexyl]-4,4,4-trifluorobutan-1-one
CID 116592510
7-(Aminomethyl)bicyclo[3.3.1]nonan-3-one
CID 533918

Frequently Asked Questions

What is the IUPAC name of 16-amino-1-cyclohexylhexadecan-1-one?
The IUPAC name of 16-amino-1-cyclohexylhexadecan-1-one (CID 53432240) is 16-amino-1-cyclohexylhexadecan-1-one.
What is the SMILES notation for 16-amino-1-cyclohexylhexadecan-1-one?
The canonical SMILES for 16-amino-1-cyclohexylhexadecan-1-one is NCCCCCCCCCCCCCCCC(=O)C1CCCCC1.
What is the InChIKey of 16-amino-1-cyclohexylhexadecan-1-one?
The InChIKey is RYVGWQDLAVSRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c23-20-16-11-9-7-5-3-1-2-4-6-8-10-15-19-22(24)21-17-13-12-14-18-21/h21H,1-20,23H2.
What are the key properties of 16-amino-1-cyclohexylhexadecan-1-one?
16-amino-1-cyclohexylhexadecan-1-one has a molecular weight of 337.59 g/mol, XLogP of 6.56, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-amino-1-cyclohexylhexadecan-1-one is sourced from PubChem (CID 53432240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).