5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one

C12H24N2O — CID 104683408

IUPAC5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
SMILESCC1CCCN(C(=O)C(C)CCCN)C1
InChIInChI=1S/C12H24N2O/c1-10-5-4-8-14(9-10)12(15)11(2)6-3-7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyYGTDZUZMOSVYRQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

About 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one

5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one (PubChem CID 104683408) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
PubChem CID104683408
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one
SMILESCC1CCCN(C(=O)C(C)CCCN)C1
InChIInChI=1S/C12H24N2O/c1-10-5-4-8-14(9-10)12(15)11(2)6-3-7-13/h10-11H,3-9,13H2,1-2H3
InChIKeyYGTDZUZMOSVYRQ-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

5-amino-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104683725
5-amino-2-methyl-1-(3-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 104684580
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
5-amino-1-(4-tert-butylpiperidin-1-yl)-2-methylpentan-1-one
CID 113440980
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
4-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylbutan-1-one
CID 80544959
1-(5-amino-2-methylpentanoyl)pyrrolidine-2-carboxamide
CID 104683570
N-(3-aminopropyl)-N-cyclopropyl-3-methylpiperidine-1-carboxamide
CID 79159316
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
5-amino-2-methyl-1-(1,4-thiazepan-4-yl)pentan-1-one
CID 104684861
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-amino-2-methylpentan-1-one
CID 104685219
5-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 104685126

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one (CID 104683408) is 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one is CC1CCCN(C(=O)C(C)CCCN)C1.
What is the InChIKey of 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is YGTDZUZMOSVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-5-4-8-14(9-10)12(15)11(2)6-3-7-13/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one?
5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-(3-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 104683408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).