N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

C13H25N3O — CID 63138600

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-12(17)13(2)6-7-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeySJCAHVFPEPQXLA-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (PubChem CID 63138600) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
PubChem CID63138600
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide
SMILESCCN1CCCC1CNC(=O)C1(C)CCNC1
InChIInChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-12(17)13(2)6-7-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeySJCAHVFPEPQXLA-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
(1R)-2,2-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 98681847
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
1-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 64548994
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145708
1-[[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433973
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119828999
N-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 110012441
(2R)-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 103813237
N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-2-carboxamide
CID 18072841
N-(2-cyclohexylethyl)-3-methylpyrrolidine-3-carboxamide
CID 55164951

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide (CID 63138600) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is CCN1CCCC1CNC(=O)C1(C)CCNC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
The InChIKey is SJCAHVFPEPQXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-16-8-4-5-11(16)9-15-12(17)13(2)6-7-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).