3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide

C8H17N3O — CID 79162356

IUPAC3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCC(N)C1
InChIInChI=1S/C8H17N3O/c1-3-10(2)8(12)11-5-4-7(9)6-11/h7H,3-6,9H2,1-2H3
InChIKeyWITRJTGTAVAAFP-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds1

About 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide

3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide (PubChem CID 79162356) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
PubChem CID79162356
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCC(N)C1
InChIInChI=1S/C8H17N3O/c1-3-10(2)8(12)11-5-4-7(9)6-11/h7H,3-6,9H2,1-2H3
InChIKeyWITRJTGTAVAAFP-UHFFFAOYSA-N
XLogP0.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
N-ethyl-N-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 115314043
4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
2-[(3-aminopyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 62637046
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
(3R)-3-aminopyrrolidine-1-carboxylic acid
CID 15336894
N-ethyl-4-(ethylamino)-N-methylpiperidine-1-carboxamide
CID 79152490

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide (CID 79162356) is 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide is CCN(C)C(=O)N1CCC(N)C1.
What is the InChIKey of 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide?
The InChIKey is WITRJTGTAVAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10(2)8(12)11-5-4-7(9)6-11/h7H,3-6,9H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide?
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide has a molecular weight of 171.24 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79162356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).