(2-methylcyclohexyl) carbamate

C8H15NO2 — CID 45090963

IUPAC(2-methylcyclohexyl) carbamate
SMILESCC1CCCCC1OC(N)=O
InChIInChI=1S/C8H15NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyMMFVCRFXZIBPRY-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.66
Rot. Bonds1

About (2-methylcyclohexyl) carbamate

(2-methylcyclohexyl) carbamate (PubChem CID 45090963) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (2-methylcyclohexyl) carbamate.

Molecular Properties

Compound Name(2-methylcyclohexyl) carbamate
PubChem CID45090963
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(2-methylcyclohexyl) carbamate
SMILESCC1CCCCC1OC(N)=O
InChIInChI=1S/C8H15NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10)
InChIKeyMMFVCRFXZIBPRY-UHFFFAOYSA-N
XLogP1.66
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
[(1S,2S)-2-methylcyclohexyl] (2R)-2-aminopropanoate
CID 70403752
(2-methylcyclohexyl) methylsulfanylformate
CID 162486245
[(1R,2R)-2-aminocyclohexyl] carbamate
CID 145235379
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(1R,2R)-2-methylcyclopentyl] 2-methylpropanoate
CID 156545215
(2-methylcyclohexyl) propanoate
CID 546179
(2-methylcyclohexyl) 2-(methylamino)propanoate
CID 62637630
(2-methylcyclohexyl) (E)-but-2-enoate
CID 130359128
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
[(1R,2S)-2-hydroxycyclopentyl] carbamate
CID 175128754

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) carbamate?
The IUPAC name of (2-methylcyclohexyl) carbamate (CID 45090963) is (2-methylcyclohexyl) carbamate.
What is the SMILES notation for (2-methylcyclohexyl) carbamate?
The canonical SMILES for (2-methylcyclohexyl) carbamate is CC1CCCCC1OC(N)=O.
What is the InChIKey of (2-methylcyclohexyl) carbamate?
The InChIKey is MMFVCRFXZIBPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-4-2-3-5-7(6)11-8(9)10/h6-7H,2-5H2,1H3,(H2,9,10).
What are the key properties of (2-methylcyclohexyl) carbamate?
(2-methylcyclohexyl) carbamate has a molecular weight of 157.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) carbamate is sourced from PubChem (CID 45090963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).