methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate

C13H26N2O2 — CID 79636591

IUPACmethyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N(C)CC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-15(3)11-6-5-7-13(14,8-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyDFZFGJKHINVKLK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.39
Rot. Bonds4

About methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate

methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate (PubChem CID 79636591) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
PubChem CID79636591
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Namemethyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N(C)CC(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)9-15(3)11-6-5-7-13(14,8-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3
InChIKeyDFZFGJKHINVKLK-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate (CID 79636591) is methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(N(C)CC(C)C)C1.
What is the InChIKey of methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
The InChIKey is DFZFGJKHINVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)9-15(3)11-6-5-7-13(14,8-11)12(16)17-4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate?
methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate has a molecular weight of 242.36 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[methyl(2-methylpropyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 79636591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).