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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Related Compounds

3-(Ethylamino)-2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 145971014
(5Z,7Z)-5-[[5-(aminomethyl)cyclohexa-1,3-dien-1-yl]amino]-7-(trifluoromethyl)deca-5,7-dien-4-one
CID 156421282
3-Methyl-1-(1,2,3,4-tetrahydropyridin-6-yl)butan-1-one
CID 57329216
1-(1,2-Dihydropyridin-6-yl)-2-methylpropan-1-one
CID 59461420
2-Amino-1-(5-ethyl-1,2,3,6-tetrahydropyridin-6-yl)prop-2-en-1-one
CID 70159085
6-Amino-5-methyl-3-[(4-methyl-5-oxocyclohexa-1,3-dien-1-yl)amino]cyclohexa-2,4-dien-1-one
CID 70514790
(3E,4S)-3-ethylidene-4-methyl-1-[[(3Z,5Z)-4-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]hepta-1,3,5-trien-3-yl]amino]hexan-2-one
CID 89336103
(3R)-3-[1-(5-propan-2-ylcyclohexen-1-yl)ethenylamino]butan-2-one
CID 118964483
7-Methyl-4-(3-methylcyclobutyl)-1,2,3,9a-tetrahydro-3-benzazepin-9-one
CID 129066532
(Z)-6-amino-4-(cyclohexa-1,5-dien-1-ylamino)-2-methylhex-4-en-3-one
CID 132197024
4-Methyl-3-[3-(1,2,3,6-tetrahydropyridin-6-yl)prop-1-en-2-ylamino]pentan-2-one
CID 141823304
1-[5-(Dimethylamino)cyclohepta-1,4,6-trien-1-yl]-2-methyl-4-(propylamino)butan-1-one;ethane
CID 142247465

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).