1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol

C16H31NO2 — CID 106188853

IUPAC1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC=C(C)C
InChIInChI=1S/C16H31NO2/c1-4-14-7-5-6-8-16(14)19-12-15(18)11-17-10-9-13(2)3/h9,14-18H,4-8,10-12H2,1-3H3
InChIKeyCLVGVTOQMQEKOZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.89
Rot. Bonds8

About 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol (PubChem CID 106188853) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
PubChem CID106188853
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
SMILESCCC1CCCCC1OCC(O)CNCC=C(C)C
InChIInChI=1S/C16H31NO2/c1-4-14-7-5-6-8-16(14)19-12-15(18)11-17-10-9-13(2)3/h9,14-18H,4-8,10-12H2,1-3H3
InChIKeyCLVGVTOQMQEKOZ-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)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-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
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-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627
3-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2,2-dimethylpropanamide
CID 106275918
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol (CID 106188853) is 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol is CCC1CCCCC1OCC(O)CNCC=C(C)C.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol?
The InChIKey is CLVGVTOQMQEKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-14-7-5-6-8-16(14)19-12-15(18)11-17-10-9-13(2)3/h9,14-18H,4-8,10-12H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol has a molecular weight of 269.43 g/mol, XLogP of 2.89, 8 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-methylbut-2-enylamino)propan-2-ol is sourced from PubChem (CID 106188853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).