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

C17H35NO2 — CID 62119486

IUPAC1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
SMILESCCCC(CC)NCC(O)COC1CCCCC1CC
InChIInChI=1S/C17H35NO2/c1-4-9-15(6-3)18-12-16(19)13-20-17-11-8-7-10-14(17)5-2/h14-19H,4-13H2,1-3H3
InChIKeyABMCROZZJPMVHI-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.50
Rot. Bonds10

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

1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol (PubChem CID 62119486) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
PubChem CID62119486
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
SMILESCCCC(CC)NCC(O)COC1CCCCC1CC
InChIInChI=1S/C17H35NO2/c1-4-9-15(6-3)18-12-16(19)13-20-17-11-8-7-10-14(17)5-2/h14-19H,4-13H2,1-3H3
InChIKeyABMCROZZJPMVHI-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
CID 106024955
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-cyclopentyloxy-3-(octan-4-ylamino)propan-2-ol
CID 106024420
1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545806
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol (CID 62119486) is 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol is CCCC(CC)NCC(O)COC1CCCCC1CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol?
The InChIKey is ABMCROZZJPMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-9-15(6-3)18-12-16(19)13-20-17-11-8-7-10-14(17)5-2/h14-19H,4-13H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol has a molecular weight of 285.47 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol is sourced from PubChem (CID 62119486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).