(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

C17H20N2O — CID 115275261

IUPAC(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(C)C(N)CCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2)15(18)10-11-19(17)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11,18H2,1-2H3
InChIKeyVCOPQKUUMJLHEK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.79
Rot. Bonds1

About (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone

(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 115275261) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
PubChem CID115275261
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1(C)C(N)CCN1C(=O)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O/c1-17(2)15(18)10-11-19(17)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11,18H2,1-2H3
InChIKeyVCOPQKUUMJLHEK-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275398
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115275243
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
2-cyclooctyl-4,4-dimethyl-1-(naphthalene-1-carbonyl)diazetidin-3-one
CID 46193990
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
N-(2-aminocyclohexyl)-N-methylnaphthalene-1-carboxamide
CID 102638977
[2-(aminomethyl)-3-methylpiperidin-1-yl]-naphthalen-1-ylmethanone;hydrochloride
CID 119597118
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
(3-amino-2,2-dimethylpyrrolidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 115275236

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone (CID 115275261) is (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is CC1(C)C(N)CCN1C(=O)c1cccc2ccccc12.
What is the InChIKey of (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is VCOPQKUUMJLHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2)15(18)10-11-19(17)16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,10-11,18H2,1-2H3.
What are the key properties of (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone?
(3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 268.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 115275261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).