tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane

C14H31NO2 — CID 142366639

IUPACtert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
SMILESCC(C)(C)OC(N)=O.CC(C)C1CCCCC1.[H][H]
InChIInChI=1S/C9H18.C5H11NO2.H2/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)8-4(6)7;/h8-9H,3-7H2,1-2H3;1-3H3,(H2,6,7);1H
InChIKeyRGWSSYOEVKHGFZ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.35
Rot. Bonds1

About tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane

tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane (PubChem CID 142366639) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane.

Molecular Properties

Compound Nametert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
PubChem CID142366639
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Nametert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane
SMILESCC(C)(C)OC(N)=O.CC(C)C1CCCCC1.[H][H]
InChIInChI=1S/C9H18.C5H11NO2.H2/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)8-4(6)7;/h8-9H,3-7H2,1-2H3;1-3H3,(H2,6,7);1H
InChIKeyRGWSSYOEVKHGFZ-UHFFFAOYSA-N
XLogP4.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl carbamate;3-cyclohexyl-2-hydroxybutanoic acid
CID 22616826
tert-butyl carbamate;methylcyclohexane
CID 143641656
tert-butyl carbamate;7-oxabicyclo[4.1.0]heptane
CID 174620186
tert-butyl 2-cyclopentylpropanoate
CID 142496420
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl carbamate;cyclobutanol
CID 143474652
2,2-dimethylpropane;propan-2-ylcyclohexane
CID 159663996
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl 4-cyclohexyl-4-methoxy-2-methyl-3-oxobutanoate
CID 116775028
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl carbamate;molecular nitrogen
CID 176888665
tert-butyl carbamate;2,4-dimethylpentane
CID 177025582

Frequently Asked Questions

What is the IUPAC name of tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane?
The IUPAC name of tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane (CID 142366639) is tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane.
What is the SMILES notation for tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane?
The canonical SMILES for tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane is CC(C)(C)OC(N)=O.CC(C)C1CCCCC1.[H][H].
What is the InChIKey of tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane?
The InChIKey is RGWSSYOEVKHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18.C5H11NO2.H2/c1-8(2)9-6-4-3-5-7-9;1-5(2,3)8-4(6)7;/h8-9H,3-7H2,1-2H3;1-3H3,(H2,6,7);1H.
What are the key properties of tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane?
tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane has a molecular weight of 245.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl carbamate;molecular hydrogen;propan-2-ylcyclohexane is sourced from PubChem (CID 142366639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).