1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol

C16H29NO2 — CID 116643947

IUPAC1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
SMILESCC#CCCNCC(O)COC1CCCCC1CC
InChIInChI=1S/C16H29NO2/c1-3-5-8-11-17-12-15(18)13-19-16-10-7-6-9-14(16)4-2/h14-18H,4,6-13H2,1-2H3
InChIKeyMWLLQFGAYXRZNN-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.34
Rot. Bonds8

About 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol

1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol (PubChem CID 116643947) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
PubChem CID116643947
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
SMILESCC#CCCNCC(O)COC1CCCCC1CC
InChIInChI=1S/C16H29NO2/c1-3-5-8-11-17-12-15(18)13-19-16-10-7-6-9-14(16)4-2/h14-18H,4,6-13H2,1-2H3
InChIKeyMWLLQFGAYXRZNN-UHFFFAOYSA-N
XLogP2.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylcyclohexyl)oxy-3-(2-methoxyethylamino)propan-2-ol
CID 60632867
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
5-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-2-methylpentan-1-ol
CID 106160350
1-(2-ethylcyclohexyl)oxy-3-[2-(oxolan-2-yl)ethylamino]propan-2-ol
CID 61040455
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
1-(2-ethylcyclohexyl)oxy-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106188853
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-(2-ethylcyclohexyl)oxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107295879
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
2-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60901795
4-[[3-(2-ethylcyclohexyl)oxy-2-hydroxypropyl]amino]-3,3-dimethylbutan-1-ol
CID 106146851

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol?
The IUPAC name of 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol (CID 116643947) is 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol is CC#CCCNCC(O)COC1CCCCC1CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol?
The InChIKey is MWLLQFGAYXRZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-5-8-11-17-12-15(18)13-19-16-10-7-6-9-14(16)4-2/h14-18H,4,6-13H2,1-2H3.
What are the key properties of 1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol?
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol has a molecular weight of 267.41 g/mol, XLogP of 2.34, 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-(pent-3-ynylamino)propan-2-ol is sourced from PubChem (CID 116643947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).