2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide

C13H27N3O — CID 113320004

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
SMILESCC1CC(CN)CN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-9-6-11(7-14)8-16(9)10(2)12(17)15-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyAMEHLEPIADMURA-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds3

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide (PubChem CID 113320004) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
PubChem CID113320004
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
SMILESCC1CC(CN)CN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-9-6-11(7-14)8-16(9)10(2)12(17)15-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17)
InChIKeyAMEHLEPIADMURA-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide (CID 113320004) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide is CC1CC(CN)CN1C(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
The InChIKey is AMEHLEPIADMURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9-6-11(7-14)8-16(9)10(2)12(17)15-13(3,4)5/h9-11H,6-8,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide?
2-[4-(aminomethyl)-2-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-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-tert-butylpropanamide is sourced from PubChem (CID 113320004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).