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

C13H25N3O — CID 113320029

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
SMILESCC1CC(CN)CN1CC(=O)NC1CCCC1
InChIInChI=1S/C13H25N3O/c1-10-6-11(7-14)8-16(10)9-13(17)15-12-4-2-3-5-12/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyNGXYDVJEWIKJFO-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.71
Rot. Bonds4

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

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide (PubChem CID 113320029) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
PubChem CID113320029
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide
SMILESCC1CC(CN)CN1CC(=O)NC1CCCC1
InChIInChI=1S/C13H25N3O/c1-10-6-11(7-14)8-16(10)9-13(17)15-12-4-2-3-5-12/h10-12H,2-9,14H2,1H3,(H,15,17)
InChIKeyNGXYDVJEWIKJFO-UHFFFAOYSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 113320028
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 113319982
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 115486274
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 113319941
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969
2-[2-(aminomethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119916027
2-[6-(aminomethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-cyclohexylacetamide
CID 82358707
2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-cycloheptylacetamide
CID 115963763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide (CID 113320029) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide is CC1CC(CN)CN1CC(=O)NC1CCCC1.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide?
The InChIKey is NGXYDVJEWIKJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-6-11(7-14)8-16(10)9-13(17)15-12-4-2-3-5-12/h10-12H,2-9,14H2,1H3,(H,15,17).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-cyclopentylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.71, 4 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-cyclopentylacetamide is sourced from PubChem (CID 113320029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).