4-amino-1-naphthalen-1-ylpentan-1-one

C15H17NO — CID 116571827

IUPAC4-amino-1-naphthalen-1-ylpentan-1-one
SMILESCC(N)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-11(16)9-10-15(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10,16H2,1H3
InChIKeyYVIUDJRTRSMWSS-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds4

About 4-amino-1-naphthalen-1-ylpentan-1-one

4-amino-1-naphthalen-1-ylpentan-1-one (PubChem CID 116571827) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-amino-1-naphthalen-1-ylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-naphthalen-1-ylpentan-1-one
PubChem CID116571827
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-amino-1-naphthalen-1-ylpentan-1-one
SMILESCC(N)CCC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H17NO/c1-11(16)9-10-15(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10,16H2,1H3
InChIKeyYVIUDJRTRSMWSS-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-1-naphthalen-1-ylpentan-1-one
CID 105094486
3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 19872190
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
4-amino-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 116595056
1-naphthalen-1-yldodecan-1-one
CID 3424169
2-aminopropanoic acid;naphthalene-1-carboxamide
CID 174834976
4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
5-amino-1-quinolin-5-ylhexan-1-one
CID 116610193
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
(2S)-2-amino-3-hydroxy-1-naphthalen-1-ylpropan-1-one
CID 173056322
3-ethyl-1-naphthalen-1-ylpentan-1-one
CID 82920782

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-naphthalen-1-ylpentan-1-one?
The IUPAC name of 4-amino-1-naphthalen-1-ylpentan-1-one (CID 116571827) is 4-amino-1-naphthalen-1-ylpentan-1-one.
What is the SMILES notation for 4-amino-1-naphthalen-1-ylpentan-1-one?
The canonical SMILES for 4-amino-1-naphthalen-1-ylpentan-1-one is CC(N)CCC(=O)c1cccc2ccccc12.
What is the InChIKey of 4-amino-1-naphthalen-1-ylpentan-1-one?
The InChIKey is YVIUDJRTRSMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(16)9-10-15(17)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,11H,9-10,16H2,1H3.
What are the key properties of 4-amino-1-naphthalen-1-ylpentan-1-one?
4-amino-1-naphthalen-1-ylpentan-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-naphthalen-1-ylpentan-1-one is sourced from PubChem (CID 116571827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).