1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol

C13H27NO2 — CID 66335655

IUPAC1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COC1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-3-14-10-13(2,15)11-16-12-8-6-4-5-7-9-12/h12,14-15H,3-11H2,1-2H3
InChIKeyPYXSFBQYGSIVHT-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds6

About 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol

1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol (PubChem CID 66335655) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol
PubChem CID66335655
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)COC1CCCCCC1
InChIInChI=1S/C13H27NO2/c1-3-14-10-13(2,15)11-16-12-8-6-4-5-7-9-12/h12,14-15H,3-11H2,1-2H3
InChIKeyPYXSFBQYGSIVHT-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol (CID 66335655) is 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol is CCNCC(C)(O)COC1CCCCCC1.
What is the InChIKey of 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol?
The InChIKey is PYXSFBQYGSIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-14-10-13(2,15)11-16-12-8-6-4-5-7-9-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol?
1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloxy-3-(ethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66335655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).