(2-cyclohexyl-2-methyloxolan-3-yl)methanamine

C12H23NO — CID 105451085

IUPAC(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
SMILESCC1(C2CCCCC2)OCCC1CN
InChIInChI=1S/C12H23NO/c1-12(10-5-3-2-4-6-10)11(9-13)7-8-14-12/h10-11H,2-9,13H2,1H3
InChIKeyPZMGNQVARJUFSO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds2

About (2-cyclohexyl-2-methyloxolan-3-yl)methanamine

(2-cyclohexyl-2-methyloxolan-3-yl)methanamine (PubChem CID 105451085) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2-cyclohexyl-2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
PubChem CID105451085
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2-cyclohexyl-2-methyloxolan-3-yl)methanamine
SMILESCC1(C2CCCCC2)OCCC1CN
InChIInChI=1S/C12H23NO/c1-12(10-5-3-2-4-6-10)11(9-13)7-8-14-12/h10-11H,2-9,13H2,1H3
InChIKeyPZMGNQVARJUFSO-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
[2-methyl-2-(2-methylphenyl)oxolan-3-yl]methanamine
CID 105458006
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
[2-methyl-2-(4-methylphenyl)oxolan-3-yl]methanamine
CID 105458004
1,8-dioxaspiro[4.5]decan-4-ylmethanamine;hydrochloride
CID 146108126
[2-(aminomethyl)-2-cyclohexylcyclohexyl]methanamine
CID 171792538

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyl-2-methyloxolan-3-yl)methanamine?
The IUPAC name of (2-cyclohexyl-2-methyloxolan-3-yl)methanamine (CID 105451085) is (2-cyclohexyl-2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-cyclohexyl-2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (2-cyclohexyl-2-methyloxolan-3-yl)methanamine is CC1(C2CCCCC2)OCCC1CN.
What is the InChIKey of (2-cyclohexyl-2-methyloxolan-3-yl)methanamine?
The InChIKey is PZMGNQVARJUFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(10-5-3-2-4-6-10)11(9-13)7-8-14-12/h10-11H,2-9,13H2,1H3.
What are the key properties of (2-cyclohexyl-2-methyloxolan-3-yl)methanamine?
(2-cyclohexyl-2-methyloxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyl-2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 105451085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).