N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide

C13H25N3O — CID 113248160

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)N1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-15-10-6-7-12(15)11-14(2)13(17)16-8-4-5-9-16/h12H,3-11H2,1-2H3
InChIKeyXRPCEFVSRXBLSW-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.62
Rot. Bonds3

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 113248160) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
PubChem CID113248160
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)N1CCCC1
InChIInChI=1S/C13H25N3O/c1-3-15-10-6-7-12(15)11-14(2)13(17)16-8-4-5-9-16/h12H,3-11H2,1-2H3
InChIKeyXRPCEFVSRXBLSW-UHFFFAOYSA-N
XLogP1.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclobutane-1-carboxamide
CID 81169352
(4R)-3-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79315750
trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 124671626
N-(cyclobutylmethyl)-N-methylpyrrolidine-1-carboxamide
CID 115621970
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
2-(aminomethyl)-2-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbutanamide
CID 79314285
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 79465871

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide (CID 113248160) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide is CCN1CCCC1CN(C)C(=O)N1CCCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is XRPCEFVSRXBLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15-10-6-7-12(15)11-14(2)13(17)16-8-4-5-9-16/h12H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 1.62, 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-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 113248160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).