N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride

C13H29Cl2N3O — CID 119894001

IUPACN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCNC1)C(C)(C)CN(C)C.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(13(2,3)9-16(4)5)15-12(17)11-6-7-14-8-11;;/h10-11,14H,6-9H2,1-5H3,(H,15,17);2*1H
InChIKeyFPDGNWWOTSVKRI-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.53
Rot. Bonds5

About N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride

N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119894001) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119894001
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1CCNC1)C(C)(C)CN(C)C.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-10(13(2,3)9-16(4)5)15-12(17)11-6-7-14-8-11;;/h10-11,14H,6-9H2,1-5H3,(H,15,17);2*1H
InChIKeyFPDGNWWOTSVKRI-UHFFFAOYSA-N
XLogP1.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3,3-dimethylbutan-2-yl)piperidine-3-carboxamide
CID 104828245
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
(3R)-N-[1-(dimethylamino)propan-2-yl]piperidine-3-carboxamide
CID 82945148
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
N-(3-cyclohexylbutan-2-yl)pyrrolidine-3-carboxamide
CID 119809069
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377
N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
CID 130481480

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride (CID 119894001) is N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride is CC(NC(=O)C1CCNC1)C(C)(C)CN(C)C.Cl.Cl.
What is the InChIKey of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is FPDGNWWOTSVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-10(13(2,3)9-16(4)5)15-12(17)11-6-7-14-8-11;;/h10-11,14H,6-9H2,1-5H3,(H,15,17);2*1H.
What are the key properties of N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride?
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119894001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).