2-(1-methylcyclohexyl)-2H-1,4-oxazine

C11H17NO — CID 91574568

IUPAC2-(1-methylcyclohexyl)-2H-1,4-oxazine
SMILESCC1(C2C=NC=CO2)CCCCC1
InChIInChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3
InChIKeyKUTHSJJWIBLZOB-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.90
Rot. Bonds1

About 2-(1-methylcyclohexyl)-2H-1,4-oxazine

2-(1-methylcyclohexyl)-2H-1,4-oxazine (PubChem CID 91574568) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(1-methylcyclohexyl)-2H-1,4-oxazine.

Molecular Properties

Compound Name2-(1-methylcyclohexyl)-2H-1,4-oxazine
PubChem CID91574568
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(1-methylcyclohexyl)-2H-1,4-oxazine
SMILESCC1(C2C=NC=CO2)CCCCC1
InChIInChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3
InChIKeyKUTHSJJWIBLZOB-UHFFFAOYSA-N
XLogP2.90
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1-methylcyclopentyl)cyclohexane
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1-tert-butylcyclooctan-1-ol
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1-chloro-1-methylcyclotridecane
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1-(1-methylcyclohexyl)phosphepane
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CID 71361825
6-(1-methylcyclodecyl)-4-propan-2-yloxazinane
CID 134220008
1,1-dimethylcyclobutane;1,1-dimethylcyclopentane;1,1-dimethylcyclopropane
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(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
1,1,7,7-tetramethylcyclopentadecane
CID 123360096

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The IUPAC name of 2-(1-methylcyclohexyl)-2H-1,4-oxazine (CID 91574568) is 2-(1-methylcyclohexyl)-2H-1,4-oxazine.
What is the SMILES notation for 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The canonical SMILES for 2-(1-methylcyclohexyl)-2H-1,4-oxazine is CC1(C2C=NC=CO2)CCCCC1.
What is the InChIKey of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
The InChIKey is KUTHSJJWIBLZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(5-3-2-4-6-11)10-9-12-7-8-13-10/h7-10H,2-6H2,1H3.
What are the key properties of 2-(1-methylcyclohexyl)-2H-1,4-oxazine?
2-(1-methylcyclohexyl)-2H-1,4-oxazine has a molecular weight of 179.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclohexyl)-2H-1,4-oxazine is sourced from PubChem (CID 91574568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).