N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride

C13H27ClN2O — CID 119318990

IUPACN-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)CCCCNC(=O)C1CCCN1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,3)8-4-5-9-15-12(16)11-7-6-10-14-11;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyFODBUBFGRITQBS-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.49
Rot. Bonds5

About N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride

N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119318990) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119318990
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC NameN-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)CCCCNC(=O)C1CCCN1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-13(2,3)8-4-5-9-15-12(16)11-7-6-10-14-11;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyFODBUBFGRITQBS-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
N-propylpyrrolidine-2-carboxamide
CID 4984185
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
N-[4-(dimethylamino)-4-oxobutyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119303011
N-(4,4,4-trifluorobutyl)piperidine-2-carboxamide
CID 81434241
ethyl 4-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate;hydrochloride
CID 119290932
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
N-(4-hydroxybutyl)azepane-2-carboxamide
CID 106842137
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119318990) is N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)CCCCNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is FODBUBFGRITQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-13(2,3)8-4-5-9-15-12(16)11-7-6-10-14-11;/h11,14H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119318990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).