N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide

C13H26N2O — CID 79312453

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-6-15-9-7-8-11(15)10-14(5)12(16)13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyQSUQHSHBQJCYSP-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 79312453) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID79312453
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCCN1CCCC1CN(C)C(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-6-15-9-7-8-11(15)10-14(5)12(16)13(2,3)4/h11H,6-10H2,1-5H3
InChIKeyQSUQHSHBQJCYSP-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpentanamide
CID 79314761
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 58408814
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 79309724
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 79303982
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]amino]-3,3-dimethylbutanoic acid
CID 79311789
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide (CID 79312453) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide is CCN1CCCC1CN(C)C(=O)C(C)(C)C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is QSUQHSHBQJCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-15-9-7-8-11(15)10-14(5)12(16)13(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 79312453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).