2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol

C12H25NO — CID 66091670

IUPAC2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol
SMILESCC1CCC(CCO)(C(C)(C)N)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-12(7-5-10,8-9-14)11(2,3)13/h10,14H,4-9,13H2,1-3H3
InChIKeyDCCQBUMOZTZMHH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.30
Rot. Bonds3

About 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol

2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol (PubChem CID 66091670) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol
PubChem CID66091670
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol
SMILESCC1CCC(CCO)(C(C)(C)N)CC1
InChIInChI=1S/C12H25NO/c1-10-4-6-12(7-5-10,8-9-14)11(2,3)13/h10,14H,4-9,13H2,1-3H3
InChIKeyDCCQBUMOZTZMHH-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol (CID 66091670) is 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol is CC1CCC(CCO)(C(C)(C)N)CC1.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol?
The InChIKey is DCCQBUMOZTZMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-4-6-12(7-5-10,8-9-14)11(2,3)13/h10,14H,4-9,13H2,1-3H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol?
2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol has a molecular weight of 199.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminopropan-2-yl)-4-methylcyclohexyl]ethanol is sourced from PubChem (CID 66091670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).