methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate

C16H26N2O3 — CID 79118658

IUPACmethyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
SMILESCNC1CCC(N(C)Cc2cc(C)c(C(=O)OC)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-11-9-14(21-15(11)16(19)20-4)10-18(3)13-7-5-12(17-2)6-8-13/h9,12-13,17H,5-8,10H2,1-4H3
InChIKeyCZZJYXFKBPDSLE-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.34
Rot. Bonds5

About methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate

methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate (PubChem CID 79118658) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
PubChem CID79118658
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Namemethyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate
SMILESCNC1CCC(N(C)Cc2cc(C)c(C(=O)OC)o2)CC1
InChIInChI=1S/C16H26N2O3/c1-11-9-14(21-15(11)16(19)20-4)10-18(3)13-7-5-12(17-2)6-8-13/h9,12-13,17H,5-8,10H2,1-4H3
InChIKeyCZZJYXFKBPDSLE-UHFFFAOYSA-N
XLogP2.34
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate (CID 79118658) is methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate is CNC1CCC(N(C)Cc2cc(C)c(C(=O)OC)o2)CC1.
What is the InChIKey of methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate?
The InChIKey is CZZJYXFKBPDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-11-9-14(21-15(11)16(19)20-4)10-18(3)13-7-5-12(17-2)6-8-13/h9,12-13,17H,5-8,10H2,1-4H3.
What are the key properties of methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate?
methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate has a molecular weight of 294.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]furan-2-carboxylate is sourced from PubChem (CID 79118658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).