ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol

C15H33NO2 — CID 154681447

IUPACethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol
SMILESCC.CC(C)N(C)C(C)COC1CCC(O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-10(2)14(4)11(3)9-16-13-7-5-12(15)6-8-13;1-2/h10-13,15H,5-9H2,1-4H3;1-2H3
InChIKeyGGTQSQUDAASRLX-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.06
Rot. Bonds5

About ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol

ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol (PubChem CID 154681447) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol
PubChem CID154681447
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol
SMILESCC.CC(C)N(C)C(C)COC1CCC(O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-10(2)14(4)11(3)9-16-13-7-5-12(15)6-8-13;1-2/h10-13,15H,5-9H2,1-4H3;1-2H3
InChIKeyGGTQSQUDAASRLX-UHFFFAOYSA-N
XLogP3.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylpropoxy)cyclopentan-1-ol
CID 18953130
cyclohexane-1,4-diol;2-methylbutane
CID 145319923
3-(4-hydroxycyclohexyl)oxypropane-1,2-diol
CID 21393261
cyclohexane-1,4-diol;ethoxyethane
CID 174832685
(2R)-1-cyclopropyloxypropan-2-amine
CID 171329250
4-[2-(4-ethoxycyclohexyl)propan-2-yl]cyclohexan-1-ol
CID 70671036
N-cyclopropyl-N-ethyl-2-(4-hydroxycyclohexyl)oxyacetamide
CID 113414290
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
1-(bromomethyl)-4-(2-methylpropoxy)cyclohexane
CID 19099396
4-[2-[4-(oxiran-2-ylmethoxy)cyclohexyl]propan-2-yl]cyclohexan-1-ol
CID 89323282
4-butan-2-ylcyclohexan-1-ol;1-butan-2-yl-4-propan-2-yloxycyclohexane
CID 54535850
4-prop-2-enoxycyclohexan-1-ol
CID 23031036

Frequently Asked Questions

What is the IUPAC name of ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol?
The IUPAC name of ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol (CID 154681447) is ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol.
What is the SMILES notation for ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol?
The canonical SMILES for ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol is CC.CC(C)N(C)C(C)COC1CCC(O)CC1.
What is the InChIKey of ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol?
The InChIKey is GGTQSQUDAASRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-10(2)14(4)11(3)9-16-13-7-5-12(15)6-8-13;1-2/h10-13,15H,5-9H2,1-4H3;1-2H3.
What are the key properties of ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol?
ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[2-[methyl(propan-2-yl)amino]propoxy]cyclohexan-1-ol is sourced from PubChem (CID 154681447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).