1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol

C15H29NO3 — CID 80714151

IUPAC1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCOC1
InChIInChI=1S/C15H29NO3/c1-2-12-5-3-4-6-15(12)19-11-14(17)9-16-13-7-8-18-10-13/h12-17H,2-11H2,1H3
InChIKeyGGDBYHFQULQNPB-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.71
Rot. Bonds7

About 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol (PubChem CID 80714151) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
PubChem CID80714151
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCOC1
InChIInChI=1S/C15H29NO3/c1-2-12-5-3-4-6-15(12)19-11-14(17)9-16-13-7-8-18-10-13/h12-17H,2-11H2,1H3
InChIKeyGGDBYHFQULQNPB-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545806
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanol
CID 104753532
(2S)-1-(oxolan-3-ylamino)butan-2-ol
CID 130571979
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-(4-methylpentan-2-yloxy)-3-(oxolan-3-ylamino)propan-2-ol
CID 80714149
2-(2-ethylcyclohexyl)oxy-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104748738
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629568
3-[[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100762
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol (CID 80714151) is 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNC1CCOC1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol?
The InChIKey is GGDBYHFQULQNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-2-12-5-3-4-6-15(12)19-11-14(17)9-16-13-7-8-18-10-13/h12-17H,2-11H2,1H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol is sourced from PubChem (CID 80714151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).