1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol

C15H29NO2 — CID 66335215

IUPAC1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
SMILESCCC1CCCC(OCC(C)(O)CNC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,17)10-16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHCNYOTVYVYHZAP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds7

About 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol

1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol (PubChem CID 66335215) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
PubChem CID66335215
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
SMILESCCC1CCCC(OCC(C)(O)CNC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,17)10-16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyHCNYOTVYVYHZAP-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol (CID 66335215) is 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol is CCC1CCCC(OCC(C)(O)CNC2CC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol?
The InChIKey is HCNYOTVYVYHZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,17)10-16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol?
1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 66335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).