N-methyl-N-pentylpyrrolidine-1-carboxamide

C11H22N2O — CID 116654215

IUPACN-methyl-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCN(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-8-12(2)11(14)13-9-6-7-10-13/h3-10H2,1-2H3
InChIKeyRECNFJKFYDGKRB-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.32
Rot. Bonds4

About N-methyl-N-pentylpyrrolidine-1-carboxamide

N-methyl-N-pentylpyrrolidine-1-carboxamide (PubChem CID 116654215) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-pentylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-pentylpyrrolidine-1-carboxamide
PubChem CID116654215
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N-pentylpyrrolidine-1-carboxamide
SMILESCCCCCN(C)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O/c1-3-4-5-8-12(2)11(14)13-9-6-7-10-13/h3-10H2,1-2H3
InChIKeyRECNFJKFYDGKRB-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N,4-dimethyl-N-pentylpiperidine-1-carboxamide
CID 116654214
N-(3-bromopropyl)-N-methylpyrrolidine-1-carboxamide
CID 106441576
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(5-aminopentyl)-N-methylpiperidine-1-carboxamide
CID 107206810
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
CID 108989937
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989729
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pentylpyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-N-pentylpyrrolidine-1-carboxamide (CID 116654215) is N-methyl-N-pentylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-N-pentylpyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-N-pentylpyrrolidine-1-carboxamide is CCCCCN(C)C(=O)N1CCCC1.
What is the InChIKey of N-methyl-N-pentylpyrrolidine-1-carboxamide?
The InChIKey is RECNFJKFYDGKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-5-8-12(2)11(14)13-9-6-7-10-13/h3-10H2,1-2H3.
What are the key properties of N-methyl-N-pentylpyrrolidine-1-carboxamide?
N-methyl-N-pentylpyrrolidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pentylpyrrolidine-1-carboxamide is sourced from PubChem (CID 116654215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).