2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide

C9H19N3O — CID 126982085

IUPAC2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide
SMILESCC1CN(CC(N)=O)CC1(C)CN
InChIInChI=1S/C9H19N3O/c1-7-3-12(4-8(11)13)6-9(7,2)5-10/h7H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyOBYZBQLOBGXCAK-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.61
Rot. Bonds3

About 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide

2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide (PubChem CID 126982085) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide
PubChem CID126982085
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide
SMILESCC1CN(CC(N)=O)CC1(C)CN
InChIInChI=1S/C9H19N3O/c1-7-3-12(4-8(11)13)6-9(7,2)5-10/h7H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyOBYZBQLOBGXCAK-UHFFFAOYSA-N
XLogP-0.61
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide (CID 126982085) is 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide is CC1CN(CC(N)=O)CC1(C)CN.
What is the InChIKey of 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide?
The InChIKey is OBYZBQLOBGXCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7-3-12(4-8(11)13)6-9(7,2)5-10/h7H,3-6,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide?
2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide has a molecular weight of 185.27 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3,4-dimethylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 126982085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).