N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride

C14H29ClN2O — CID 119339774

IUPACN-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-5-8-12(7-4-2)11-16-14(17)13-9-6-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyMZCRGQKGKAGPQB-UHFFFAOYSA-N
MW276.85 g/mol
LogP2.88
Rot. Bonds8

About N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride

N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119339774) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119339774
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCCCCC(CCC)CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-3-5-8-12(7-4-2)11-16-14(17)13-9-6-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyMZCRGQKGKAGPQB-UHFFFAOYSA-N
XLogP2.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)piperidine-2-carboxamide;hydrochloride
CID 119261605
(2R)-N-(2-hydroxypentyl)piperidine-2-carboxamide
CID 103811163
4-hydroxy-N-(2-propylhexyl)pyrrolidine-2-carboxamide
CID 119811886
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542
N-[2-cyclohexyl-2-(dimethylamino)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119850522
N-propylpyrrolidine-2-carboxamide
CID 4984185
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
(2S)-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119859201
(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 178045420
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078

Frequently Asked Questions

What is the IUPAC name of N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119339774) is N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride is CCCCC(CCC)CNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is MZCRGQKGKAGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-3-5-8-12(7-4-2)11-16-14(17)13-9-6-10-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylhexyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119339774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).