3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one

C18H22N2O — CID 82527218

IUPAC3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(N)c2ccc3c(c2)CCCC3)c1=O
InChIInChI=1S/C18H22N2O/c1-2-20-11-5-8-16(18(20)21)17(19)15-10-9-13-6-3-4-7-14(13)12-15/h5,8-12,17H,2-4,6-7,19H2,1H3
InChIKeyHQBRLBASMYHRIC-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.80
Rot. Bonds3

About 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one

3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one (PubChem CID 82527218) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
PubChem CID82527218
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one
SMILESCCn1cccc(C(N)c2ccc3c(c2)CCCC3)c1=O
InChIInChI=1S/C18H22N2O/c1-2-20-11-5-8-16(18(20)21)17(19)15-10-9-13-6-3-4-7-14(13)12-15/h5,8-12,17H,2-4,6-7,19H2,1H3
InChIKeyHQBRLBASMYHRIC-UHFFFAOYSA-N
XLogP2.80
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
2,3-dihydro-1H-inden-5-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 43115595
3-[amino-(4-methylphenyl)methyl]-1-butylpyridin-2-one
CID 82526914
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
6-[amino-(2-methylphenyl)methyl]-1-ethyl-3,4-dihydroquinolin-2-one
CID 82173906
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834

Frequently Asked Questions

What is the IUPAC name of 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one?
The IUPAC name of 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one (CID 82527218) is 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one.
What is the SMILES notation for 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one?
The canonical SMILES for 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one is CCn1cccc(C(N)c2ccc3c(c2)CCCC3)c1=O.
What is the InChIKey of 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one?
The InChIKey is HQBRLBASMYHRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20-11-5-8-16(18(20)21)17(19)15-10-9-13-6-3-4-7-14(13)12-15/h5,8-12,17H,2-4,6-7,19H2,1H3.
What are the key properties of 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one?
3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one has a molecular weight of 282.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-1-ethylpyridin-2-one is sourced from PubChem (CID 82527218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).