methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate

C15H29NO2 — CID 75450474

IUPACmethyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate
SMILESCCCC(C)CNC1(C)CCCCC1C(=O)OC
InChIInChI=1S/C15H29NO2/c1-5-8-12(2)11-16-15(3)10-7-6-9-13(15)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyYSLHUAYHDOFJAK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds6

About methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate

methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate (PubChem CID 75450474) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate
PubChem CID75450474
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Namemethyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate
SMILESCCCC(C)CNC1(C)CCCCC1C(=O)OC
InChIInChI=1S/C15H29NO2/c1-5-8-12(2)11-16-15(3)10-7-6-9-13(15)14(17)18-4/h12-13,16H,5-11H2,1-4H3
InChIKeyYSLHUAYHDOFJAK-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-amino-2-methylcyclohexane-1-carboxylate hydrochloride
CID 71757316
Methyl 2-(1-(methylamino)cyclohexyl)acetate hydrochloride
CID 155943835
methyl (1S,2R,6R)-2-amino-6-methylcyclohexane-1-carboxylate
CID 10920963
Ethyl 2-(propylamino)cyclohexane-1-carboxylate
CID 57577723
Methyl 2-(1-(methylamino)cyclohexyl)acetate
CID 65234883
Cyclohexanecarboxylic acid, 2-(acetylamino)-, methyl ester, cis-
CID 287394
Ethyl 2-(cyclopropylamino)cyclohexane-1-carboxylate
CID 154585688
Methyl 2-methyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylate
CID 54892517
Methyl 2-ethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylate
CID 64253195
Methyl 2-[1-(ethylamino)-4-(trifluoromethyl)cyclohexyl]acetate
CID 65235021
Methyl 2-[1-(propylamino)-4-(trifluoromethyl)cyclohexyl]acetate
CID 65235971
Methyl 2-amino-2-methylcyclohexane-1-carboxylate
CID 71757317

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate (CID 75450474) is methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate is CCCC(C)CNC1(C)CCCCC1C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate?
The InChIKey is YSLHUAYHDOFJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-8-12(2)11-16-15(3)10-7-6-9-13(15)14(17)18-4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate?
methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate has a molecular weight of 255.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-methylpentylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 75450474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).