N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide

C12H25N3O — CID 102992833

IUPACN-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-15(10-6-9-14(2)3)12(16)11-7-5-8-13-11/h11,13H,4-10H2,1-3H3
InChIKeyJOPPSGLPNYHRPC-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide

N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 102992833) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID102992833
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-15(10-6-9-14(2)3)12(16)11-7-5-8-13-11/h11,13H,4-10H2,1-3H3
InChIKeyJOPPSGLPNYHRPC-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2R)-N-ethyl-N-propylpiperidine-2-carboxamide
CID 93272549
(2S)-N,N-dipentylpyrrolidine-2-carboxamide
CID 61165096
(2R)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93376713
N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 54874369
(2R)-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 89362128
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
(2R)-N,N-dipentylpiperidine-2-carboxamide
CID 93372342
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
N-(cyclopropylmethyl)-N-ethylazepane-2-carboxamide
CID 64570352
(2S)-N-(2-ethoxyethyl)-N-ethylpiperidine-2-carboxamide
CID 103809901

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide (CID 102992833) is N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide is CCN(CCCN(C)C)C(=O)C1CCCN1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is JOPPSGLPNYHRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(10-6-9-14(2)3)12(16)11-7-5-8-13-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102992833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).