N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

C12H27Cl2N3O — CID 119874329

IUPACN-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CCCN1)C(C)C.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(10(2)3)9-8-14-12(16)11-6-5-7-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyMESMNAZXTMSFFY-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.43
Rot. Bonds6

About N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride

N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 119874329) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID119874329
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC NameN-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCCN(CCNC(=O)C1CCCN1)C(C)C.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-4-15(10(2)3)9-8-14-12(16)11-6-5-7-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyMESMNAZXTMSFFY-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62639882
(2S)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 62641676
N-[2-[methyl(propan-2-yl)amino]ethyl]piperidine-2-carboxamide
CID 62641689
(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
(2R)-N-[2-[ethyl(methyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119866061
N-propylpyrrolidine-2-carboxamide
CID 4984185
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119896206
(2S)-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide
CID 61249248
(2S)-N-[3-(dipropylamino)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 122081502
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
N-(7-methyloctyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119263597
N-[2-(dimethylsulfamoyl)ethyl]pyrrolidine-2-carboxamide
CID 106337362

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 119874329) is N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is CCN(CCNC(=O)C1CCCN1)C(C)C.Cl.Cl.
What is the InChIKey of N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is MESMNAZXTMSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-4-15(10(2)3)9-8-14-12(16)11-6-5-7-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H.
What are the key properties of N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride?
N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(propan-2-yl)amino]ethyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119874329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).