2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide

C13H27N3O — CID 120771899

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C)(CN)C1
InChIInChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-7-6-13(5,8-14)9-16/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyURQMMTDSDVPPIW-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds3

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide (PubChem CID 120771899) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
PubChem CID120771899
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCC(C)(CN)C1
InChIInChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-7-6-13(5,8-14)9-16/h10H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyURQMMTDSDVPPIW-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 120772528
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 113362974
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 120773723
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-butylpropanamide
CID 107160660
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-pentan-2-ylpropanamide
CID 107160523
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide
CID 120772320

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide (CID 120771899) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The InChIKey is URQMMTDSDVPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-7-6-13(5,8-14)9-16/h10H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 120771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).