2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

C13H27N3O — CID 113320028

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C13H27N3O/c1-9(2)11(4)15-13(17)8-16-7-12(6-14)5-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyZPKKIYLHSNPHGK-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 113320028) 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-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
PubChem CID113320028
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C13H27N3O/c1-9(2)11(4)15-13(17)8-16-7-12(6-14)5-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyZPKKIYLHSNPHGK-UHFFFAOYSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 115486274
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
CID 113320029
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 115486277
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 115486080
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 115486329
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 115486348
2-(3-aminopiperidin-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 61297413
2-[(3R)-3-aminopiperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 102977545
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 115486170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide (CID 113320028) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)CN1CC(CN)CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is ZPKKIYLHSNPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9(2)11(4)15-13(17)8-16-7-12(6-14)5-10(16)3/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 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-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 113320028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).