1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol

C17H33NO2 — CID 114545806

IUPAC1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCC(C)C1
InChIInChI=1S/C17H33NO2/c1-3-14-6-4-5-7-17(14)20-12-16(19)11-18-15-9-8-13(2)10-15/h13-19H,3-12H2,1-2H3
InChIKeyWDMIEPYQSKKWHK-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds7

About 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (PubChem CID 114545806) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
PubChem CID114545806
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNC1CCC(C)C1
InChIInChI=1S/C17H33NO2/c1-3-14-6-4-5-7-17(14)20-12-16(19)11-18-15-9-8-13(2)10-15/h13-19H,3-12H2,1-2H3
InChIKeyWDMIEPYQSKKWHK-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylcyclohexyl)oxy-3-(oxolan-3-ylamino)propan-2-ol
CID 80714151
1-(4-methylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 114545713
1-(2-ethylcyclohexyl)oxy-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63281525
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114629568
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-butoxy-3-[(3-methylcyclopentyl)amino]propan-2-ol
CID 107263143
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
1-(2-ethylcyclohexyl)oxy-3-(hexan-3-ylamino)propan-2-ol
CID 62119486
1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol (CID 114545806) is 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol is CCC1CCCCC1OCC(O)CNC1CCC(C)C1.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is WDMIEPYQSKKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-14-6-4-5-7-17(14)20-12-16(19)11-18-15-9-8-13(2)10-15/h13-19H,3-12H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-[(3-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 7 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-[(3-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 114545806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).