methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate

C10H16N2O2 — CID 86741631

IUPACmethyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
SMILESCNC1=CCC(NC)(C(=O)OC)C=C1
InChIInChI=1S/C10H16N2O2/c1-11-8-4-6-10(12-2,7-5-8)9(13)14-3/h4-6,11-12H,7H2,1-3H3
InChIKeyPRWDLVFRWUTNQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.18
Rot. Bonds3

About methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate

methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate (PubChem CID 86741631) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
PubChem CID86741631
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
SMILESCNC1=CCC(NC)(C(=O)OC)C=C1
InChIInChI=1S/C10H16N2O2/c1-11-8-4-6-10(12-2,7-5-8)9(13)14-3/h4-6,11-12H,7H2,1-3H3
InChIKeyPRWDLVFRWUTNQX-UHFFFAOYSA-N
XLogP0.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(methylamino)-2-(6H-quinolizin-2-yl)acetate
CID 54072513
Ethyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
CID 66873586
2-Ethylhexyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
CID 67062846
1,4-Bis(methylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 68808344
Octyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
CID 77620853
Pentyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate
CID 86702318
Ethyl 2-(1,2-dihydropyridin-4-yl)-2-(dimethylamino)acetate
CID 117691710
Methyl-2-methylpyridine carboxylate
CID 121457151
Methyl 2-prop-1-enyl-1,3-dihydropyrrole-2-carboxylate
CID 139635553
methyl 1H-quinoline-8a-carboxylate
CID 141148434
Tert-butyl 4-amino-1-(methoxycarbonylamino)cyclohexa-2,4-diene-1-carboxylate
CID 141363301
2-(Dimethylamino)ethyl 4-(butylamino)cyclohexa-2,4-diene-1-carboxylate
CID 145751331

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate?
The IUPAC name of methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate (CID 86741631) is methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate.
What is the SMILES notation for methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate?
The canonical SMILES for methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate is CNC1=CCC(NC)(C(=O)OC)C=C1.
What is the InChIKey of methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate?
The InChIKey is PRWDLVFRWUTNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-11-8-4-6-10(12-2,7-5-8)9(13)14-3/h4-6,11-12H,7H2,1-3H3.
What are the key properties of methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate?
methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylate is sourced from PubChem (CID 86741631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).