2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol

C15H31NO2 — CID 18651837

IUPAC2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCO
InChIInChI=1S/C15H31NO2/c1-12(2)14-6-5-13(3)11-15(14)18-10-8-16(4)7-9-17/h12-15,17H,5-11H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyUFDYDKPVTRPUHB-QLFBSQMISA-N
MW257.42 g/mol
LogP2.39
Rot. Bonds7

About 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol

2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol (PubChem CID 18651837) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol
PubChem CID18651837
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCO
InChIInChI=1S/C15H31NO2/c1-12(2)14-6-5-13(3)11-15(14)18-10-8-16(4)7-9-17/h12-15,17H,5-11H2,1-4H3/t13-,14+,15-/m1/s1
InChIKeyUFDYDKPVTRPUHB-QLFBSQMISA-N
XLogP2.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol (CID 18651837) is 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCN(C)CCO.
What is the InChIKey of 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol?
The InChIKey is UFDYDKPVTRPUHB-QLFBSQMISA-N. The full InChI is InChI=1S/C15H31NO2/c1-12(2)14-6-5-13(3)11-15(14)18-10-8-16(4)7-9-17/h12-15,17H,5-11H2,1-4H3/t13-,14+,15-/m1/s1.
What are the key properties of 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol?
2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol has a molecular weight of 257.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethyl]amino]ethanol is sourced from PubChem (CID 18651837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).