2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol

C13H27NO — CID 66090292

IUPAC2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol
SMILESCC1CCCC(CCO)(C(C)(C)N)C1C
InChIInChI=1S/C13H27NO/c1-10-6-5-7-13(8-9-15,11(10)2)12(3,4)14/h10-11,15H,5-9,14H2,1-4H3
InChIKeyUHRXXVNVYKKDEB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.55
Rot. Bonds3

About 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol

2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol (PubChem CID 66090292) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol
PubChem CID66090292
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol
SMILESCC1CCCC(CCO)(C(C)(C)N)C1C
InChIInChI=1S/C13H27NO/c1-10-6-5-7-13(8-9-15,11(10)2)12(3,4)14/h10-11,15H,5-9,14H2,1-4H3
InChIKeyUHRXXVNVYKKDEB-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.55
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)-2,3-dimethylcyclohexyl]ethanol?
The IUPAC name of 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol (CID 66090292) is 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol?
The canonical SMILES for 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol is CC1CCCC(CCO)(C(C)(C)N)C1C.
What is the InChIKey of 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol?
The InChIKey is UHRXXVNVYKKDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-6-5-7-13(8-9-15,11(10)2)12(3,4)14/h10-11,15H,5-9,14H2,1-4H3.
What are the key properties of 2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol?
2-[1-(2-aminopropan-2-yl)-2,3-dimethylcyclohexyl]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.55, 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)-2,3-dimethylcyclohexyl]ethanol is sourced from PubChem (CID 66090292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).