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

C15H29NO2 — CID 64807526

IUPAC2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
SMILESCCC1CCCC(OCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,10-17)16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBDZYIYYNVVYJTA-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds7

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

2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol (PubChem CID 64807526) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
PubChem CID64807526
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol
SMILESCCC1CCCC(OCC(C)(CO)NC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,10-17)16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyBDZYIYYNVVYJTA-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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Related Compounds

3-cyclopentyloxy-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64802401
1-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 66335215
1-amino-3-(3-ethylcyclohexyl)oxy-2-methylpropan-2-ol
CID 64814015
(3S)-1-ethoxy-3-ethylcyclohexane
CID 144585145
3-(3-ethylcyclohexyl)oxy-2,2-dimethylpropane-1-sulfonyl chloride
CID 64999875
2-(cyclopropylamino)-3-ethoxy-2-methylpropan-1-ol
CID 64803244
2-(cyclopropylamino)-2-methyl-3-(oxolan-3-yloxy)propan-1-ol
CID 64808693
3-cyclohexyloxy-2-(ethylamino)-2-methylpropan-1-ol
CID 64805107
3-(3-ethylcyclohexyl)oxy-2-(methylamino)-2-phenylpropan-1-ol
CID 64807326
2-(cyclopropylamino)-6-(3-methoxycyclohexyl)oxy-2-methylhexan-1-ol
CID 64809105
2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol
CID 64805454
2-ethyl-2-[(3-ethylcyclopentyl)amino]propane-1,3-diol
CID 115924310

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol (CID 64807526) is 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol is CCC1CCCC(OCC(C)(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol?
The InChIKey is BDZYIYYNVVYJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-12-5-4-6-14(9-12)18-11-15(2,10-17)16-13-7-8-13/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol?
2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-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 2-(cyclopropylamino)-3-(3-ethylcyclohexyl)oxy-2-methylpropan-1-ol is sourced from PubChem (CID 64807526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).