2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol

C12H25NO2 — CID 106874731

IUPAC2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
SMILESCOC1CCCCC1(CCO)C(C)(C)N
InChIInChI=1S/C12H25NO2/c1-11(2,13)12(8-9-14)7-5-4-6-10(12)15-3/h10,14H,4-9,13H2,1-3H3
InChIKeyYGBMNUIUUDARHE-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.68
Rot. Bonds4

About 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol

2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol (PubChem CID 106874731) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
PubChem CID106874731
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol
SMILESCOC1CCCCC1(CCO)C(C)(C)N
InChIInChI=1S/C12H25NO2/c1-11(2,13)12(8-9-14)7-5-4-6-10(12)15-3/h10,14H,4-9,13H2,1-3H3
InChIKeyYGBMNUIUUDARHE-UHFFFAOYSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol
CID 66090292
2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol
CID 66091670
trans-(1S,2R)-1-(3-hydroxypropyl)-2-methoxycyclohexan-1-ol
CID 98010257
2-[1-(2-aminopropan-2-yl)cyclobutyl]ethanol
CID 81251643
2-[2-methoxy-1-(propylamino)cyclohexyl]ethanol
CID 106874602
2-[1-(2-aminopropan-2-yl)-2,5-dimethylcyclohexyl]ethanol
CID 66089807
2-methoxycyclohexane-1,1-diamine
CID 22418278
3-[1-(aminomethyl)-2-methoxycyclohexyl]oxypropan-1-ol
CID 106874712
2-[1-(2-aminopropan-2-yl)-4-tert-butylcycloheptyl]ethanol
CID 66090275
2-methoxy-1-pentylcyclohexan-1-ol
CID 106873594
methyl 1-amino-2-methoxycyclohexane-1-carboxylate
CID 106872967
1-(3-hydroxypropoxy)-2-methoxycyclohexane-1-carboxylic acid
CID 106875049

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol (CID 106874731) is 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol is COC1CCCCC1(CCO)C(C)(C)N.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol?
The InChIKey is YGBMNUIUUDARHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,13)12(8-9-14)7-5-4-6-10(12)15-3/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol?
2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol has a molecular weight of 215.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-2-methoxycyclohexyl]ethanol is sourced from PubChem (CID 106874731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).