N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride

C13H27ClN2O — CID 119727932

IUPACN-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)CN(CC)C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(5-2)10-15(6-3)13(16)12-7-8-14-9-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyHLYGJAMWSULWCW-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.30
Rot. Bonds6

About N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride

N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119727932) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119727932
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)CN(CC)C(=O)C1CCNC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(5-2)10-15(6-3)13(16)12-7-8-14-9-12;/h11-12,14H,4-10H2,1-3H3;1H
InChIKeyHLYGJAMWSULWCW-UHFFFAOYSA-N
XLogP2.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-methylbutyl)piperidine-4-carboxamide
CID 79470658
methyl 2-[2-ethylbutyl-[(3S)-piperidine-3-carbonyl]amino]acetate
CID 81129207
N-ethyl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 81490031
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-cyclopentyl-N-ethylpyrrolidine-3-carboxamide;hydrochloride
CID 119722120
N,N-dipentylpyrrolidine-3-carboxamide
CID 63005585
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
N-(cyclopropylmethyl)-N-ethylpiperidine-3-carboxamide;hydrochloride
CID 119324240
5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687792
N-ethyl-N-(2-ethylbutyl)-3-piperidin-3-ylbutanamide
CID 81044581
N,N-bis(2-methylpropyl)piperidine-3-carboxamide
CID 43588735
N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyrrolidine-3-carboxamide
CID 63005457

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride (CID 119727932) is N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride is CCC(CC)CN(CC)C(=O)C1CCNC1.Cl.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is HLYGJAMWSULWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-11(5-2)10-15(6-3)13(16)12-7-8-14-9-12;/h11-12,14H,4-10H2,1-3H3;1H.
What are the key properties of N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride?
N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119727932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).