2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol

C15H31NO2 — CID 64802589

IUPAC2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC(C)CC(C)C)C1CC1
InChIInChI=1S/C15H31NO2/c1-5-8-16-15(10-17,14-6-7-14)11-18-13(4)9-12(2)3/h12-14,16-17H,5-11H2,1-4H3
InChIKeyHLOVYEZPSWGGIP-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.58
Rot. Bonds10

About 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol (PubChem CID 64802589) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
PubChem CID64802589
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC(C)CC(C)C)C1CC1
InChIInChI=1S/C15H31NO2/c1-5-8-16-15(10-17,14-6-7-14)11-18-13(4)9-12(2)3/h12-14,16-17H,5-11H2,1-4H3
InChIKeyHLOVYEZPSWGGIP-UHFFFAOYSA-N
XLogP2.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802127
2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
CID 64810980
2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
CID 64804772
2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propan-1-ol
CID 64797922
2-cyclopropyl-3-(1-methoxypropan-2-yloxy)-2-(methylamino)propan-1-ol
CID 64811394
2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64796214
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267
3-cyclobutyloxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64808658
2-cyclopropyl-2-(cyclopropylamino)-3-propan-2-yloxypropan-1-ol
CID 64804667
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64807100
2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol (CID 64802589) is 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol is CCCNC(CO)(COC(C)CC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol?
The InChIKey is HLOVYEZPSWGGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-5-8-16-15(10-17,14-6-7-14)11-18-13(4)9-12(2)3/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64802589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).