[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium

C11H23N2O2+ — CID 7021549

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
SMILESCC(C)(C)OC(=O)NC1CCC([NH3+])CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p+1
InChIKeyFEYLUKDSKVSMSZ-UHFFFAOYSA-O
MW215.32 g/mol
LogP1.06
Rot. Bonds1

About [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium

[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium (PubChem CID 7021549) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
PubChem CID7021549
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
SMILESCC(C)(C)OC(=O)NC1CCC([NH3+])CC1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p+1
InChIKeyFEYLUKDSKVSMSZ-UHFFFAOYSA-O
XLogP1.06
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
2-hydroxy-2-oxoacetate;[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]azanium
CID 103596200
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-piperidin-1-ium-4-ylcarbamate
CID 6927761
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[4-(methylideneamino)cyclohexyl]carbamate
CID 138714983
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium (CID 7021549) is [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium is CC(C)(C)OC(=O)NC1CCC([NH3+])CC1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium?
The InChIKey is FEYLUKDSKVSMSZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7,12H2,1-3H3,(H,13,14)/p+1.
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium?
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium has a molecular weight of 215.32 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium is sourced from PubChem (CID 7021549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).