2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide

C13H27N3O — CID 113319950

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CC(CN)CC1C
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-9-12(8-14)7-10(16)3/h10-12H,5-9,14H2,1-4H3
InChIKeyRQYDUFDXBXIRNG-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide (PubChem CID 113319950) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide
PubChem CID113319950
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CC(CN)CC1C
InChIInChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-9-12(8-14)7-10(16)3/h10-12H,5-9,14H2,1-4H3
InChIKeyRQYDUFDXBXIRNG-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 113320004
2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-N,N-diethylpropanamide
CID 103352994
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N,N-diethylpropanamide
CID 102938763
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
CID 79160798
2-(3,5-dimethylpiperazin-1-yl)-N,N-diethylpropanamide
CID 63874454
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
CID 55243556
2-(4-amino-3-methylpiperidin-1-yl)-N,N-diethylpropanamide
CID 79867648
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120758550
N,N-diethyl-2-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114500324

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide (CID 113319950) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CC(CN)CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide?
The InChIKey is RQYDUFDXBXIRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-15(6-2)13(17)11(4)16-9-12(8-14)7-10(16)3/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 113319950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).