3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide

C17H25N3O — CID 67205457

IUPAC3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(N)=O)C1C1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19(2)15-10-11-20(17(18)21)16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14-16H,5,7,9-11H2,1-2H3,(H2,18,21)
InChIKeyDENJBEIVQQYRJY-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.19
Rot. Bonds2

About 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide

3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide (PubChem CID 67205457) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
PubChem CID67205457
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
SMILESCN(C)C1CCN(C(N)=O)C1C1CCCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19(2)15-10-11-20(17(18)21)16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14-16H,5,7,9-11H2,1-2H3,(H2,18,21)
InChIKeyDENJBEIVQQYRJY-UHFFFAOYSA-N
XLogP2.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 86813621
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 140759820
N-methyl-2-oxo-2-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-1-yl]ethanesulfonamide
CID 71923230
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-b][1,3]thiazepine-7-carboxamide;hydrochloride
CID 169057950
N-(2-amino-2-sulfanylideneethyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719083
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 175851865
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 134279503
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
2-[4-(1-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111113798
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 102738316

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide (CID 67205457) is 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide is CN(C)C1CCN(C(N)=O)C1C1CCCc2ccccc21.
What is the InChIKey of 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is DENJBEIVQQYRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19(2)15-10-11-20(17(18)21)16(15)14-9-5-7-12-6-3-4-8-13(12)14/h3-4,6,8,14-16H,5,7,9-11H2,1-2H3,(H2,18,21).
What are the key properties of 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide?
3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 67205457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).