3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one

C12H18N2O — CID 116573963

IUPAC3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
SMILESCC(C)C(CN)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(7-13)12(15)6-10-4-3-5-14-8-10/h3-5,8-9,11H,6-7,13H2,1-2H3
InChIKeyFNNWPIQXCVQTSD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.42
Rot. Bonds5

About 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one

3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one (PubChem CID 116573963) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
PubChem CID116573963
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one
SMILESCC(C)C(CN)C(=O)Cc1cccnc1
InChIInChI=1S/C12H18N2O/c1-9(2)11(7-13)12(15)6-10-4-3-5-14-8-10/h3-5,8-9,11H,6-7,13H2,1-2H3
InChIKeyFNNWPIQXCVQTSD-UHFFFAOYSA-N
XLogP1.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
4-(ethylamino)-3-methyl-1-pyridin-3-ylbutan-2-one
CID 116565297
2-(2-aminoethyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 112515558
(4S)-2,2,5-trimethyl-4-(pyridin-3-ylmethyl)hexan-3-one
CID 58300260
3-(aminomethyl)-4-pyridin-3-ylbutan-2-one
CID 86775823
methyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 62690739
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-one
CID 104735960
3-amino-2-hydroxy-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 115180694
2-pyridin-3-ylacetyl chloride
CID 14697475

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one (CID 116573963) is 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one is CC(C)C(CN)C(=O)Cc1cccnc1.
What is the InChIKey of 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one?
The InChIKey is FNNWPIQXCVQTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)11(7-13)12(15)6-10-4-3-5-14-8-10/h3-5,8-9,11H,6-7,13H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one?
3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methyl-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 116573963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).