2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol

C16H31NO3 — CID 64810980

IUPAC2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC1CCCC(OC)C1)C1CC1
InChIInChI=1S/C16H31NO3/c1-3-9-17-16(11-18,13-7-8-13)12-20-15-6-4-5-14(10-15)19-2/h13-15,17-18H,3-12H2,1-2H3
InChIKeyWMXLOESGMAOQCH-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.10
Rot. Bonds9

About 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol (PubChem CID 64810980) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
PubChem CID64810980
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COC1CCCC(OC)C1)C1CC1
InChIInChI=1S/C16H31NO3/c1-3-9-17-16(11-18,13-7-8-13)12-20-15-6-4-5-14(10-15)19-2/h13-15,17-18H,3-12H2,1-2H3
InChIKeyWMXLOESGMAOQCH-UHFFFAOYSA-N
XLogP2.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyloxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64808658
2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802127
2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802589
3-[cyclopentyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64797055
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 64798182
3-[cyclobutylmethyl(ethyl)amino]-2-cyclopropyl-2-(propylamino)propan-1-ol
CID 107402544
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-2-(ethylamino)-3-heptoxypropan-1-ol
CID 64803350
1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
CID 103074781
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
CID 64806267

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol (CID 64810980) is 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol is CCCNC(CO)(COC1CCCC(OC)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol?
The InChIKey is WMXLOESGMAOQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-9-17-16(11-18,13-7-8-13)12-20-15-6-4-5-14(10-15)19-2/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol has a molecular weight of 285.43 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-methoxycyclohexyl)oxy-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64810980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).