2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol

C13H27NO — CID 81315381

IUPAC2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol
SMILESCCNC1(CCO)CCC(C)(C)CC1C
InChIInChI=1S/C13H27NO/c1-5-14-13(8-9-15)7-6-12(3,4)10-11(13)2/h11,14-15H,5-10H2,1-4H3
InChIKeyFQNYYJCCVKTSNR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.56
Rot. Bonds4

About 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol

2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol (PubChem CID 81315381) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol
PubChem CID81315381
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol
SMILESCCNC1(CCO)CCC(C)(C)CC1C
InChIInChI=1S/C13H27NO/c1-5-14-13(8-9-15)7-6-12(3,4)10-11(13)2/h11,14-15H,5-10H2,1-4H3
InChIKeyFQNYYJCCVKTSNR-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol?
The IUPAC name of 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol (CID 81315381) is 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol?
The canonical SMILES for 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol is CCNC1(CCO)CCC(C)(C)CC1C.
What is the InChIKey of 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol?
The InChIKey is FQNYYJCCVKTSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14-13(8-9-15)7-6-12(3,4)10-11(13)2/h11,14-15H,5-10H2,1-4H3.
What are the key properties of 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol?
2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)-2,4,4-trimethylcyclohexyl]ethanol is sourced from PubChem (CID 81315381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).