3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride

C12H25Cl2N3O — CID 119864814

IUPAC3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
SMILESCC(C)(CN)C(=O)NC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-12(2,8-13)11(16)14-9-5-6-15(7-9)10-3-4-10;;/h9-10H,3-8,13H2,1-2H3,(H,14,16);2*1H
InChIKeyLIDRFBDSLJVMDR-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.17
Rot. Bonds4

About 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride

3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride (PubChem CID 119864814) has the molecular formula C12H25Cl2N3O and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
PubChem CID119864814
Molecular FormulaC12H25Cl2N3O
Molecular Weight298.26 g/mol
Exact Mass297.14
IUPAC Name3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride
SMILESCC(C)(CN)C(=O)NC1CCN(C2CC2)C1.Cl.Cl
InChIInChI=1S/C12H23N3O.2ClH/c1-12(2,8-13)11(16)14-9-5-6-15(7-9)10-3-4-10;;/h9-10H,3-8,13H2,1-2H3,(H,14,16);2*1H
InChIKeyLIDRFBDSLJVMDR-UHFFFAOYSA-N
XLogP1.17
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpropanamide;dihydrochloride
CID 119864797
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-methylpentanamide;dihydrochloride
CID 119864844
3-amino-2,2-dimethyl-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834906
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylpropanamide
CID 62487733
3-amino-2,2-dimethyl-N-(4-propylcyclohexyl)propanamide;hydrochloride
CID 119750378
N-(1-cyclopropylpiperidin-4-yl)-2-methyl-2-(methylamino)propanamide
CID 62847423
(2S)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-methylsulfonylpropanamide
CID 94796418
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
3-amino-2,2-dimethyl-N-(oxolan-3-yl)propanamide
CID 80717739
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
1-amino-N-(1-cyclopropylpyrrolidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
CID 119864838
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride (CID 119864814) is 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride is CC(C)(CN)C(=O)NC1CCN(C2CC2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride?
The InChIKey is LIDRFBDSLJVMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O.2ClH/c1-12(2,8-13)11(16)14-9-5-6-15(7-9)10-3-4-10;;/h9-10H,3-8,13H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride?
3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride has a molecular weight of 298.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylpyrrolidin-3-yl)-2,2-dimethylpropanamide;dihydrochloride is sourced from PubChem (CID 119864814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).