1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole

C14H24N2O — CID 122394696

IUPAC1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCn1ccnc1
InChIInChI=1S/C14H24N2O/c1-11(2)13-5-4-12(3)8-14(13)17-10-16-7-6-15-9-16/h6-7,9,11-14H,4-5,8,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyQQYYUAZPFSEQQW-HZSPNIEDSA-N
MW236.36 g/mol
LogP3.32
Rot. Bonds4

About 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole

1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole (PubChem CID 122394696) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole.

Molecular Properties

Compound Name1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
PubChem CID122394696
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCn1ccnc1
InChIInChI=1S/C14H24N2O/c1-11(2)13-5-4-12(3)8-14(13)17-10-16-7-6-15-9-16/h6-7,9,11-14H,4-5,8,10H2,1-3H3/t12-,13+,14-/m1/s1
InChIKeyQQYYUAZPFSEQQW-HZSPNIEDSA-N
XLogP3.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-ylethyl)-2-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 100841944
1-methyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-1-ium tetrafluoroborate
CID 91824200
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-(propoxymethyl)imidazol-3-ium
CID 52921163
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]-3-(nonoxymethyl)imidazol-3-ium chloride
CID 52921237
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
1-ethyl-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-3-ium chloride
CID 16681463
1-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-3-(nonoxymethyl)imidazol-3-ium
CID 71696829
1-(decoxymethyl)-3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazol-1-ium
CID 52921240
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
4-methyl-1-propan-2-yl-2-prop-2-ynoxycyclohexane
CID 73079157

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole?
The IUPAC name of 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole (CID 122394696) is 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole.
What is the SMILES notation for 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole?
The canonical SMILES for 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCn1ccnc1.
What is the InChIKey of 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole?
The InChIKey is QQYYUAZPFSEQQW-HZSPNIEDSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)13-5-4-12(3)8-14(13)17-10-16-7-6-15-9-16/h6-7,9,11-14H,4-5,8,10H2,1-3H3/t12-,13+,14-/m1/s1.
What are the key properties of 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole?
1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole has a molecular weight of 236.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]imidazole is sourced from PubChem (CID 122394696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).