[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol

C14H29NO2 — CID 84591952

IUPAC[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol
SMILESCN(CCOC(C)(C)C)C1CCC(CO)CC1
InChIInChI=1S/C14H29NO2/c1-14(2,3)17-10-9-15(4)13-7-5-12(11-16)6-8-13/h12-13,16H,5-11H2,1-4H3
InChIKeyDIPKEIIEQOZJTE-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.28
Rot. Bonds5

About [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol

[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol (PubChem CID 84591952) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol
PubChem CID84591952
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol
SMILESCN(CCOC(C)(C)C)C1CCC(CO)CC1
InChIInChI=1S/C14H29NO2/c1-14(2,3)17-10-9-15(4)13-7-5-12(11-16)6-8-13/h12-13,16H,5-11H2,1-4H3
InChIKeyDIPKEIIEQOZJTE-UHFFFAOYSA-N
XLogP2.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol (CID 84591952) is [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol is CN(CCOC(C)(C)C)C1CCC(CO)CC1.
What is the InChIKey of [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol?
The InChIKey is DIPKEIIEQOZJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-14(2,3)17-10-9-15(4)13-7-5-12(11-16)6-8-13/h12-13,16H,5-11H2,1-4H3.
What are the key properties of [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol?
[4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 84591952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).