methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate

C16H31NO2 — CID 112682446

IUPACmethyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-12(2)8-17-16(13(18)19-7)10-14(3,4)9-15(5,6)11-16/h12,17H,8-11H2,1-7H3
InChIKeyKGWFCHANFSDPGO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.38
Rot. Bonds4

About methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate

methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate (PubChem CID 112682446) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
PubChem CID112682446
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namemethyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NCC(C)C)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-12(2)8-17-16(13(18)19-7)10-14(3,4)9-15(5,6)11-16/h12,17H,8-11H2,1-7H3
InChIKeyKGWFCHANFSDPGO-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-(2-methylpropylamino)cyclopentane-1-carboxamide
CID 80705707
methyl 1-methyl-3-(2-methylpropylamino)pyrrolidine-3-carboxylate
CID 62977346
methyl 1-ethyl-4-(2-methylpropylamino)azepane-4-carboxylate
CID 65075907
methyl 1-(cyclohexylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999242
methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
CID 80700254
methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 64754964
methyl 1-(ethylamino)-3,3,5-trimethylcyclohexane-1-carboxylate
CID 60787698
methyl 1-(hydroxymethyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 115013996
methyl 5,5-dimethyl-3-(prop-2-ynylamino)thiane-3-carboxylate
CID 79946522
ethyl 3,3,5,5-tetramethyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylate
CID 115999245
ethyl 1-(2-azidoethylamino)-3,3,5,5-tetramethylcyclohexane-1-carboxylate
CID 115999252
2-(2-methylpropylamino)-1,3-dihydroindene-2-carboxylic acid
CID 61001565

Frequently Asked Questions

What is the IUPAC name of methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate (CID 112682446) is methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate is COC(=O)C1(NCC(C)C)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
The InChIKey is KGWFCHANFSDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-12(2)8-17-16(13(18)19-7)10-14(3,4)9-15(5,6)11-16/h12,17H,8-11H2,1-7H3.
What are the key properties of methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate?
methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate has a molecular weight of 269.43 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 112682446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).