1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

C12H25NO2 — CID 43166266

IUPAC1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-3-13-8-11(14)9-15-12-6-4-5-10(2)7-12/h10-14H,3-9H2,1-2H3
InChIKeyRZAPCNWWEUDDSH-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds6

About 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol

1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 43166266) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID43166266
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCCNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C12H25NO2/c1-3-13-8-11(14)9-15-12-6-4-5-10(2)7-12/h10-14H,3-9H2,1-2H3
InChIKeyRZAPCNWWEUDDSH-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 43166266) is 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is CCNCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is RZAPCNWWEUDDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-13-8-11(14)9-15-12-6-4-5-10(2)7-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 43166266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).