2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

C12H24N2O — CID 107470882

IUPAC2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)CC(CN)C(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)8-10(9-13)11(15)14-6-4-5-7-14/h10H,4-9,13H2,1-3H3
InChIKeyMKURCJFCFWIRDD-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds3

About 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one

2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (PubChem CID 107470882) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
PubChem CID107470882
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
SMILESCC(C)(C)CC(CN)C(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)8-10(9-13)11(15)14-6-4-5-7-14/h10H,4-9,13H2,1-3H3
InChIKeyMKURCJFCFWIRDD-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]-4,4-dimethylpentan-1-one
CID 107472973
2-(aminomethyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472778
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478
1-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 107471562
2-(aminomethyl)-4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-1-one
CID 107471862
4-[2-(aminomethyl)-4,4-dimethylpentanoyl]-N-ethylpiperazine-1-carboxamide
CID 107471510
2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-4-yl]acetic acid
CID 107472406
2-(aminomethyl)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4,4-dimethylpentan-1-one
CID 107471575
3-[4-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperazin-1-yl]propanenitrile
CID 107472554
2-(aminomethyl)-1-(3-tert-butylpyrrolidin-1-yl)-4,4-dimethylpentan-1-one
CID 107472687
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
CID 114281945
(2S)-1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidine-2-carboxylic acid
CID 107472356

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one (CID 107470882) is 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is CC(C)(C)CC(CN)C(=O)N1CCCC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
The InChIKey is MKURCJFCFWIRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)8-10(9-13)11(15)14-6-4-5-7-14/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one?
2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one is sourced from PubChem (CID 107470882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).