3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one

C10H20N2O — CID 116915700

IUPAC3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(C(=O)C(C)(C)CN)C1
InChIInChI=1S/C10H20N2O/c1-10(2,7-11)9(13)8-4-5-12(3)6-8/h8H,4-7,11H2,1-3H3
InChIKeyKTWJMTBQQWZBIC-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one

3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 116915700) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
PubChem CID116915700
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(C(=O)C(C)(C)CN)C1
InChIInChI=1S/C10H20N2O/c1-10(2,7-11)9(13)8-4-5-12(3)6-8/h8H,4-7,11H2,1-3H3
InChIKeyKTWJMTBQQWZBIC-UHFFFAOYSA-N
XLogP0.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915429
3-amino-N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 115154624
N-(1-amino-2,3-dimethylbutan-2-yl)-1-methylpyrrolidine-3-carboxamide
CID 115310482
N-[3-(aminomethyl)pentan-3-yl]-1-methylpyrrolidine-3-carboxamide
CID 63887978
2,2-dimethyl-1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 155222976
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
2-(1-methylpyrrolidin-3-yl)prop-2-en-1-amine
CID 117266264
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 80504912
3-amino-2,2-dimethyl-1-(3-methylcyclohexyl)propan-1-one
CID 116600016
N-[(2R)-1-aminopropan-2-yl]-1-methylpyrrolidine-3-carboxamide
CID 104877076
[2-(aminomethyl)pyrrolidin-1-yl]-(1-methylpyrrolidin-3-yl)methanone
CID 83619572

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one (CID 116915700) is 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one is CN1CCC(C(=O)C(C)(C)CN)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is KTWJMTBQQWZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,7-11)9(13)8-4-5-12(3)6-8/h8H,4-7,11H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one?
3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(1-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 116915700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).