2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide

C13H27N3O — CID 106615127

IUPAC2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)CC1CCCN1
InChIInChI=1S/C13H27N3O/c1-4-16(9-12-6-5-7-14-12)10-13(17)15-8-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyREPBIKZROFMLRS-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds7

About 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide

2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide (PubChem CID 106615127) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
PubChem CID106615127
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)C)CC1CCCN1
InChIInChI=1S/C13H27N3O/c1-4-16(9-12-6-5-7-14-12)10-13(17)15-8-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyREPBIKZROFMLRS-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106615538
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 106615025
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
2-[ethyl(piperidin-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 106632408
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-[2-(2-methylpropylamino)-2-oxoethyl]-2-pyrrolidin-2-ylacetamide
CID 112701818
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide (CID 106615127) is 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide is CCN(CC(=O)NCC(C)C)CC1CCCN1.
What is the InChIKey of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
The InChIKey is REPBIKZROFMLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(9-12-6-5-7-14-12)10-13(17)15-8-11(2)3/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide?
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106615127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).