tert-butyl 2-(methylamino)cyclohexane-1-carboxylate

C12H23NO2 — CID 70853538

IUPACtert-butyl 2-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-7-5-6-8-10(9)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYDPBMEZRCXEMGZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl 2-(methylamino)cyclohexane-1-carboxylate

tert-butyl 2-(methylamino)cyclohexane-1-carboxylate (PubChem CID 70853538) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 2-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(methylamino)cyclohexane-1-carboxylate
PubChem CID70853538
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 2-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1CCCCC1C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-7-5-6-8-10(9)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyYDPBMEZRCXEMGZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-tert-butyl (1R,2S)-2-hydrazinylcyclohexane-1-carboxylate
CID 151224928
tert-butyl 2-(methylamino)cyclopropane-1-carboxylate
CID 156544485
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxamide
CID 58168971
2-(methylamino)cyclohexane-1-carboxamide
CID 72740884
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl 2-sulfanylcyclohexane-1-carboxylate
CID 138571057
cis-tert-butyl (1S,2R)-2-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclobutyl]carbamoylamino]cyclobutane-1-carboxylate
CID 11682154
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
2-O-tert-butyl 1-O-(2-hydroxyethyl) cyclohexane-1,2-dicarboxylate
CID 66983618
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 2-(methylamino)cyclohexane-1-carboxylate (CID 70853538) is tert-butyl 2-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(methylamino)cyclohexane-1-carboxylate is CNC1CCCCC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is YDPBMEZRCXEMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)9-7-5-6-8-10(9)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-(methylamino)cyclohexane-1-carboxylate?
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 70853538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).