N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde

C13H28N2O2 — CID 142213067

IUPACN-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
SMILESC=O.CC.CCCCNC(=O)C1CCCN1C
InChIInChI=1S/C10H20N2O.C2H6.CH2O/c1-3-4-7-11-10(13)9-6-5-8-12(9)2;2*1-2/h9H,3-8H2,1-2H3,(H,11,13);1-2H3;1H2
InChIKeyKUVUOWOHUHKFOE-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.84
Rot. Bonds4

About N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde

N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde (PubChem CID 142213067) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde.

Molecular Properties

Compound NameN-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
PubChem CID142213067
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde
SMILESC=O.CC.CCCCNC(=O)C1CCCN1C
InChIInChI=1S/C10H20N2O.C2H6.CH2O/c1-3-4-7-11-10(13)9-6-5-8-12(9)2;2*1-2/h9H,3-8H2,1-2H3,(H,11,13);1-2H3;1H2
InChIKeyKUVUOWOHUHKFOE-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-2-carboxamide;ethane
CID 143685494
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
4-[(1-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 110837340
(2S)-1-methyl-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 139684981
(2R)-N-[3-[(1S,2R)-2-hydroxycyclohexyl]propyl]-1-methylpyrrolidine-2-carboxamide
CID 124857791
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2S)-1-(2-amino-2-methylpropanoyl)-N-butylpyrrolidine-2-carboxamide
CID 11658913
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2S)-1-methyl-N-[3-(1,2,4-triazol-4-yl)propyl]azepane-2-carboxamide
CID 97209651
1-methyl-N-(2-oxoheptan-3-yl)pyrrolidine-2-carboxamide
CID 143358047

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde?
The IUPAC name of N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde (CID 142213067) is N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde.
What is the SMILES notation for N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde?
The canonical SMILES for N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde is C=O.CC.CCCCNC(=O)C1CCCN1C.
What is the InChIKey of N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde?
The InChIKey is KUVUOWOHUHKFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6.CH2O/c1-3-4-7-11-10(13)9-6-5-8-12(9)2;2*1-2/h9H,3-8H2,1-2H3,(H,11,13);1-2H3;1H2.
What are the key properties of N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde?
N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde has a molecular weight of 244.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-methylpyrrolidine-2-carboxamide;ethane;formaldehyde is sourced from PubChem (CID 142213067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).