N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide

C12H25N3O — CID 103814267

IUPACN-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-4-10(2)15(3)8-7-14-12(16)11-5-6-13-9-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXUXYCUZWUVKJSZ-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds6

About N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide

N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide (PubChem CID 103814267) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
PubChem CID103814267
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
SMILESCCC(C)N(C)CCNC(=O)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-4-10(2)15(3)8-7-14-12(16)11-5-6-13-9-11/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXUXYCUZWUVKJSZ-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[butan-2-yl(methyl)amino]ethyl]-2-methylpiperidine-4-carboxamide
CID 106832156
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515
(3S)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-3-carboxamide
CID 81140340
N-[4-(diethylamino)butyl]pyrrolidine-3-carboxamide
CID 119852584
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 106337238
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-3-carboxamide
CID 119862283
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-(3-ethyl-2-hydroxypentyl)pyrrolidine-3-carboxamide
CID 103811158
N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115739346

Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide (CID 103814267) is N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide is CCC(C)N(C)CCNC(=O)C1CCNC1.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XUXYCUZWUVKJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-10(2)15(3)8-7-14-12(16)11-5-6-13-9-11/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide?
N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 103814267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).