N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride

C13H29Cl2N3O — CID 119860550

IUPACN-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1(C)CCNC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-5-16(6-2)9-11(3)15-12(17)13(4)7-8-14-10-13;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H
InChIKeyFEJGCPPIKHYXKN-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.68
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride

N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 119860550) has the molecular formula C13H29Cl2N3O and a molecular weight of 314.30 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
PubChem CID119860550
Molecular FormulaC13H29Cl2N3O
Molecular Weight314.30 g/mol
Exact Mass313.17
IUPAC NameN-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1(C)CCNC1.Cl.Cl
InChIInChI=1S/C13H27N3O.2ClH/c1-5-16(6-2)9-11(3)15-12(17)13(4)7-8-14-10-13;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H
InChIKeyFEJGCPPIKHYXKN-UHFFFAOYSA-N
XLogP1.68
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-3-methylpyrrolidine-3-carboxamide
CID 103109036
N-[1-(diethylamino)propan-2-yl]-4-methoxypiperidine-4-carboxamide
CID 119860570
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63142239
3-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 55165528
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119737579
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
4-methyl-N-(6-methylheptan-2-yl)piperidine-4-carboxamide
CID 63122377
3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119692049

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride (CID 119860550) is N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride is CCN(CC)CC(C)NC(=O)C1(C)CCNC1.Cl.Cl.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is FEJGCPPIKHYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.2ClH/c1-5-16(6-2)9-11(3)15-12(17)13(4)7-8-14-10-13;;/h11,14H,5-10H2,1-4H3,(H,15,17);2*1H.
What are the key properties of N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride?
N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 314.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119860550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).