4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one

C12H20N2O — CID 178069020

IUPAC4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one
SMILESCC1=CC(C)NC(C(=O)CC(C)CN)=C1
InChIInChI=1S/C12H20N2O/c1-8-4-10(3)14-11(5-8)12(15)6-9(2)7-13/h4-5,9-10,14H,6-7,13H2,1-3H3
InChIKeyCVFKCGYQHVUBAQ-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds4

About 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one

4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one (PubChem CID 178069020) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one
PubChem CID178069020
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one
SMILESCC1=CC(C)NC(C(=O)CC(C)CN)=C1
InChIInChI=1S/C12H20N2O/c1-8-4-10(3)14-11(5-8)12(15)6-9(2)7-13/h4-5,9-10,14H,6-7,13H2,1-3H3
InChIKeyCVFKCGYQHVUBAQ-UHFFFAOYSA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one?
The IUPAC name of 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one (CID 178069020) is 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one.
What is the SMILES notation for 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one?
The canonical SMILES for 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one is CC1=CC(C)NC(C(=O)CC(C)CN)=C1.
What is the InChIKey of 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one?
The InChIKey is CVFKCGYQHVUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-10(3)14-11(5-8)12(15)6-9(2)7-13/h4-5,9-10,14H,6-7,13H2,1-3H3.
What are the key properties of 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one?
4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one has a molecular weight of 208.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dimethyl-1,2-dihydropyridin-6-yl)-3-methylbutan-1-one is sourced from PubChem (CID 178069020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).