N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride

C14H29ClN2O — CID 119263597

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

About N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride

N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119263597) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119263597
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC NameN-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)CCCCCCNC(=O)C1CCCN1.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-12(2)8-5-3-4-6-10-16-14(17)13-9-7-11-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H
InChIKeyYMWOPHPVWLWHTK-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

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(7-methyloctyl)piperidine-2-carboxamide
CID 103807890
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(5,5-dimethylhexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119318990
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
(2S)-N-(3-methylsulfanylbutyl)pyrrolidine-2-carboxamide
CID 103796220
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2R)-N-(3-hydroxybutyl)piperidine-2-carboxamide
CID 103808747
3-[[(2S)-pyrrolidine-2-carbonyl]amino]propane-1-sulfonic acid
CID 25008297
4-hydroxy-N-(7-methyloctyl)pyrrolidine-2-carboxamide
CID 61275212
N-[4-(2-methoxyethoxy)butyl]pyrrolidine-2-carboxamide
CID 115626529
(2S)-N-(5-methoxypentyl)piperidine-2-carboxamide
CID 103809997

Frequently Asked Questions

What is the IUPAC name of N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119263597) is N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride is CC(C)CCCCCCNC(=O)C1CCCN1.Cl.
What is the InChIKey of N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is YMWOPHPVWLWHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-12(2)8-5-3-4-6-10-16-14(17)13-9-7-11-15-13;/h12-13,15H,3-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride?
N-(7-methyloctyl)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-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119263597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).