2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide

C13H25N3O — CID 120773771

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C13H25N3O/c1-13(9-14)5-6-16(10-13)8-12(17)15(2)7-11-3-4-11/h11H,3-10,14H2,1-2H3
InChIKeyRYWPSXBOOWEFNF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.53
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide (PubChem CID 120773771) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
PubChem CID120773771
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CN1CCC(C)(CN)C1
InChIInChI=1S/C13H25N3O/c1-13(9-14)5-6-16(10-13)8-12(17)15(2)7-11-3-4-11/h11H,3-10,14H2,1-2H3
InChIKeyRYWPSXBOOWEFNF-UHFFFAOYSA-N
XLogP0.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 120772056
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 130562485
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
CID 120772051
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773926
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 120773429
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclohexylethyl)acetamide;hydrochloride
CID 120772426
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
N-(cyclopropylmethyl)-2-(1,4-diazepan-1-yl)-N-methylacetamide
CID 62839573
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 120772245

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide (CID 120773771) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide is CN(CC1CC1)C(=O)CN1CCC(C)(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
The InChIKey is RYWPSXBOOWEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-13(9-14)5-6-16(10-13)8-12(17)15(2)7-11-3-4-11/h11H,3-10,14H2,1-2H3.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 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-(cyclopropylmethyl)-N-methylacetamide is sourced from PubChem (CID 120773771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).