1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione

C17H20N2O2 — CID 143277863

IUPAC1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione
SMILESCC1=C(C(=O)CC(=O)c2c(C)cccc2N)C(N)=CCC1
InChIInChI=1S/C17H20N2O2/c1-10-5-3-7-12(18)16(10)14(20)9-15(21)17-11(2)6-4-8-13(17)19/h3,5,7-8H,4,6,9,18-19H2,1-2H3
InChIKeyJGMSCEVYUTWJOY-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.67
Rot. Bonds4

About 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione

1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione (PubChem CID 143277863) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione.

Molecular Properties

Compound Name1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione
PubChem CID143277863
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione
SMILESCC1=C(C(=O)CC(=O)c2c(C)cccc2N)C(N)=CCC1
InChIInChI=1S/C17H20N2O2/c1-10-5-3-7-12(18)16(10)14(20)9-15(21)17-11(2)6-4-8-13(17)19/h3,5,7-8H,4,6,9,18-19H2,1-2H3
InChIKeyJGMSCEVYUTWJOY-UHFFFAOYSA-N
XLogP2.67
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione with MolForge

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Related Compounds

2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-(1-adamantyl)-1-(2-amino-6-methylphenyl)ethanone
CID 14202258
[2-(cyclopropylamino)-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61321740
2-amino-N-(3-methoxypropyl)-6-methylbenzamide
CID 43153249
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
2-amino-N-[3-(dimethylamino)-3-oxopropyl]-6-methylbenzamide
CID 61102735
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081124
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-methylbenzamide
CID 93081123
2-amino-N-(3-ethyl-2-methylcyclopentyl)-6-methylbenzamide
CID 64923476

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione?
The IUPAC name of 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione (CID 143277863) is 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione.
What is the SMILES notation for 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione?
The canonical SMILES for 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione is CC1=C(C(=O)CC(=O)c2c(C)cccc2N)C(N)=CCC1.
What is the InChIKey of 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione?
The InChIKey is JGMSCEVYUTWJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-5-3-7-12(18)16(10)14(20)9-15(21)17-11(2)6-4-8-13(17)19/h3,5,7-8H,4,6,9,18-19H2,1-2H3.
What are the key properties of 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione?
1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione has a molecular weight of 284.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-methylcyclohexa-1,5-dien-1-yl)-3-(2-amino-6-methylphenyl)propane-1,3-dione is sourced from PubChem (CID 143277863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).