methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate

C10H16N2O2 — CID 170948209

IUPACmethyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate
SMILESCNC1(C)CC=C(C(=O)OC)C=C1N
InChIInChI=1S/C10H16N2O2/c1-10(12-2)5-4-7(6-8(10)11)9(13)14-3/h4,6,12H,5,11H2,1-3H3
InChIKeyREPOQDOFRUEYJR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.31
Rot. Bonds2

About methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate

methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate (PubChem CID 170948209) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate
PubChem CID170948209
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate
SMILESCNC1(C)CC=C(C(=O)OC)C=C1N
InChIInChI=1S/C10H16N2O2/c1-10(12-2)5-4-7(6-8(10)11)9(13)14-3/h4,6,12H,5,11H2,1-3H3
InChIKeyREPOQDOFRUEYJR-UHFFFAOYSA-N
XLogP0.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-chloro-4-hydroperoxy-4-methoxycyclohexa-1,5-diene-1-carboxylate
CID 172691204
methyl (4S)-4-methylsulfanyl-4-sulfanylcyclohexa-1,5-diene-1-carboxylate
CID 124640141
dimethyl 6-(hydroxymethyl)cyclohepta-1,3,6-triene-1,3-dicarboxylate
CID 143654839
methyl 5,5-dimethylcyclohexene-1-carboxylate
CID 20694542
methyl 4-(dimethylamino)-4-ethylcyclohexa-1,5-diene-1-carboxylate
CID 175058863
2-(1-chloro-4-methoxycarbonylcyclohexa-2,4-dien-1-yl)sulfonylacetic acid
CID 150826906
methyl 4,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 86157121
[6-amino-3-(hydrazinecarbonyl)-6-methoxycyclohexa-1,3-dien-1-yl] hypochlorite
CID 172738881
methyl 2-amino-3,3-dimethylcyclopentene-1-carboxylate
CID 90258796
methyl 2-amino-2,3-dihydropyridine-5-carboxylate
CID 90963851
methyl 4-(bromomethylidene)cyclohexa-1,5-diene-1-carboxylate
CID 139946039
methyl 5-(2,2-dimethylcyclopentyl)-4-(2-fluoro-5-hydroxyphenyl)-4-methylcyclohexa-1,5-diene-1-carboxylate
CID 163482174

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate?
The IUPAC name of methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate (CID 170948209) is methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate.
What is the SMILES notation for methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate?
The canonical SMILES for methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate is CNC1(C)CC=C(C(=O)OC)C=C1N.
What is the InChIKey of methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate?
The InChIKey is REPOQDOFRUEYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(12-2)5-4-7(6-8(10)11)9(13)14-3/h4,6,12H,5,11H2,1-3H3.
What are the key properties of methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate?
methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-4-methyl-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate is sourced from PubChem (CID 170948209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).