3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one

C13H20N2O — CID 82189037

IUPAC3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCC(C)(C)c1ccc(CN)c(=O)n1C1CC1
InChIInChI=1S/C13H20N2O/c1-13(2,3)11-7-4-9(8-14)12(16)15(11)10-5-6-10/h4,7,10H,5-6,8,14H2,1-3H3
InChIKeyHHJDMUGZDVLGGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.94
Rot. Bonds2

About 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one

3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one (PubChem CID 82189037) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
PubChem CID82189037
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
SMILESCC(C)(C)c1ccc(CN)c(=O)n1C1CC1
InChIInChI=1S/C13H20N2O/c1-13(2,3)11-7-4-9(8-14)12(16)15(11)10-5-6-10/h4,7,10H,5-6,8,14H2,1-3H3
InChIKeyHHJDMUGZDVLGGD-UHFFFAOYSA-N
XLogP1.94
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
2-(6-tert-butyl-1-cyclopentyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82523529
6-tert-butyl-1-cyclopentyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82523549
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451
3-(1-aminoethyl)-6-tert-butyl-1-cyclohexylpyridin-2-one
CID 82523506
3-[amino-(4-methylphenyl)methyl]-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82523734
6-tert-butyl-1-cyclopentyl-3-(2-hydroxypropan-2-yl)pyridin-2-one
CID 82523536
6-tert-butyl-1-cyclopentyl-2-oxopyridine-3-carbonitrile
CID 82523553
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
3-(aminomethyl)-1-cyclopentyl-6-(2,4-dimethylphenyl)pyridin-2-one
CID 82189330
3-(aminomethyl)-1-cyclopentyl-6-(2,5-dimethylphenyl)pyridin-2-one
CID 82189364
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one?
The IUPAC name of 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one (CID 82189037) is 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one is CC(C)(C)c1ccc(CN)c(=O)n1C1CC1.
What is the InChIKey of 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one?
The InChIKey is HHJDMUGZDVLGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)11-7-4-9(8-14)12(16)15(11)10-5-6-10/h4,7,10H,5-6,8,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one?
3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 82189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).