1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one

C19H24N2O — CID 120809709

IUPAC1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
SMILESCC(C(=O)N1CCC(C)(CN)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O/c1-14(18(22)21-10-9-19(2,12-20)13-21)16-8-7-15-5-3-4-6-17(15)11-16/h3-8,11,14H,9-10,12-13,20H2,1-2H3
InChIKeyHONVIHXHYKCWGD-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.14
Rot. Bonds3

About 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one (PubChem CID 120809709) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
PubChem CID120809709
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one
SMILESCC(C(=O)N1CCC(C)(CN)C1)c1ccc2ccccc2c1
InChIInChI=1S/C19H24N2O/c1-14(18(22)21-10-9-19(2,12-20)13-21)16-8-7-15-5-3-4-6-17(15)11-16/h3-8,11,14H,9-10,12-13,20H2,1-2H3
InChIKeyHONVIHXHYKCWGD-UHFFFAOYSA-N
XLogP3.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-thiophen-3-ylpropan-1-one;hydrochloride
CID 120803852
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 120809621
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone;hydrochloride
CID 120808790
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one
CID 120819721
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120819720
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-4-phenoxybutan-1-one
CID 120808139
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 120808017
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-propan-2-ylphenoxy)butan-1-one;hydrochloride
CID 120804732
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 120803857
N-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzamide;hydrochloride
CID 120807240
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 120809654
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-chlorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 120806362

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one (CID 120809709) is 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one is CC(C(=O)N1CCC(C)(CN)C1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
The InChIKey is HONVIHXHYKCWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-14(18(22)21-10-9-19(2,12-20)13-21)16-8-7-15-5-3-4-6-17(15)11-16/h3-8,11,14H,9-10,12-13,20H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one?
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 120809709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).