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

C8H17N3O — CID 130562485

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1(CN)CCN(CC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-8(5-9)2-3-11(6-8)4-7(10)12/h2-6,9H2,1H3,(H2,10,12)
InChIKeyKXTGUUZMNWTJOQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.86
Rot. Bonds3

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

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide (PubChem CID 130562485) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
PubChem CID130562485
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide
SMILESCC1(CN)CCN(CC(N)=O)C1
InChIInChI=1S/C8H17N3O/c1-8(5-9)2-3-11(6-8)4-7(10)12/h2-6,9H2,1H3,(H2,10,12)
InChIKeyKXTGUUZMNWTJOQ-UHFFFAOYSA-N
XLogP-0.86
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetohydrazide
CID 130562628
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-cyclopropylacetamide;hydrochloride
CID 120772051
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]propanamide
CID 107160625
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 120773771
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 120772056
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide;dihydrochloride
CID 120773152
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzylacetamide
CID 120772947
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 120773946
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,3-dichlorophenyl)acetamide
CID 120772640
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1-[4-(azepane-1-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 120772053
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 120772641

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide (CID 130562485) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide is CC1(CN)CCN(CC(N)=O)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide?
The InChIKey is KXTGUUZMNWTJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-8(5-9)2-3-11(6-8)4-7(10)12/h2-6,9H2,1H3,(H2,10,12).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.86, 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-methylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 130562485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).