1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol

C15H27NO2 — CID 113477406

IUPAC1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
SMILESC#CCC(C)NCC(O)COC1CCCCC1C
InChIInChI=1S/C15H27NO2/c1-4-7-13(3)16-10-14(17)11-18-15-9-6-5-8-12(15)2/h1,12-17H,5-11H2,2-3H3
InChIKeyIVBPAQVTJMDZAV-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.94
Rot. Bonds7

About 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol

1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol (PubChem CID 113477406) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
PubChem CID113477406
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
SMILESC#CCC(C)NCC(O)COC1CCCCC1C
InChIInChI=1S/C15H27NO2/c1-4-7-13(3)16-10-14(17)11-18-15-9-6-5-8-12(15)2/h1,12-17H,5-11H2,2-3H3
InChIKeyIVBPAQVTJMDZAV-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-(2-methylcyclohexyl)oxy-3-(octan-4-ylamino)propan-2-ol
CID 106024955
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-(2-ethylcyclohexyl)oxy-3-(hexan-2-ylamino)propan-2-ol
CID 62200593
1-[(3,3-dimethylcyclopentyl)amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 114546017
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol (CID 113477406) is 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol is C#CCC(C)NCC(O)COC1CCCCC1C.
What is the InChIKey of 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol?
The InChIKey is IVBPAQVTJMDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-7-13(3)16-10-14(17)11-18-15-9-6-5-8-12(15)2/h1,12-17H,5-11H2,2-3H3.
What are the key properties of 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol?
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol is sourced from PubChem (CID 113477406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).