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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Related Compounds

methyl 1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxylate
CID 79636650
methyl 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636382
methyl 1-amino-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]cyclohexane-1-carboxylate
CID 105416924
1-amino-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxylic acid
CID 79650269
methyl 1-amino-3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]cyclohexane-1-carboxylate
CID 79633577
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274
methyl 1-amino-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexane-1-carboxylate
CID 79627504
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
CID 79654658
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
trans-methyl (1R,3S)-1-amino-3-methylcyclohexane-1-carboxylate
CID 93311018

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).