3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide

C12H25N3O — CID 106614989

IUPAC3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
SMILESCCN(CCC(=O)N(C)C)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-15(9-7-12(16)14(2)3)10-11-6-5-8-13-11/h11,13H,4-10H2,1-3H3
InChIKeyFCMOMOVNQZASOM-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.54
Rot. Bonds6

About 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide

3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide (PubChem CID 106614989) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
PubChem CID106614989
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
SMILESCCN(CCC(=O)N(C)C)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-4-15(9-7-12(16)14(2)3)10-11-6-5-8-13-11/h11,13H,4-10H2,1-3H3
InChIKeyFCMOMOVNQZASOM-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

N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
N-cyclohexyl-3-[ethyl(piperidin-2-ylmethyl)amino]propanamide
CID 106632493
N-ethyl-2-methylsulfonyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615294
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-N,N-dimethylbutanamide
CID 106631546
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
2-ethoxy-N-ethyl-N-(piperidin-2-ylmethyl)ethanamine
CID 63696688
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide (CID 106614989) is 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide is CCN(CCC(=O)N(C)C)CC1CCCN1.
What is the InChIKey of 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide?
The InChIKey is FCMOMOVNQZASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-15(9-7-12(16)14(2)3)10-11-6-5-8-13-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide?
3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide 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 3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 106614989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).