methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate

C16H31NO3 — CID 69299084

IUPACmethyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOCCN(CC1CCC(C(=O)OC)CC1)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-16(2,3)17(10-11-19-4)12-13-6-8-14(9-7-13)15(18)20-5/h13-14H,6-12H2,1-5H3
InChIKeySCDUDAUCCCEZKW-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.71
Rot. Bonds6

About methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate

methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 69299084) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID69299084
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Namemethyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOCCN(CC1CCC(C(=O)OC)CC1)C(C)(C)C
InChIInChI=1S/C16H31NO3/c1-16(2,3)17(10-11-19-4)12-13-6-8-14(9-7-13)15(18)20-5/h13-14H,6-12H2,1-5H3
InChIKeySCDUDAUCCCEZKW-UHFFFAOYSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate (CID 69299084) is methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate is COCCN(CC1CCC(C(=O)OC)CC1)C(C)(C)C.
What is the InChIKey of methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is SCDUDAUCCCEZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-16(2,3)17(10-11-19-4)12-13-6-8-14(9-7-13)15(18)20-5/h13-14H,6-12H2,1-5H3.
What are the key properties of methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[tert-butyl(2-methoxyethyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 69299084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).