4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol

C14H29NO3 — CID 64910999

IUPAC4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
SMILESCC(O)CCNCC(O)COC1CCCCC1C
InChIInChI=1S/C14H29NO3/c1-11-5-3-4-6-14(11)18-10-13(17)9-15-8-7-12(2)16/h11-17H,3-10H2,1-2H3
InChIKeyPBMRAOXIYFLITM-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.30
Rot. Bonds8

About 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol

4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol (PubChem CID 64910999) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
PubChem CID64910999
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
SMILESCC(O)CCNCC(O)COC1CCCCC1C
InChIInChI=1S/C14H29NO3/c1-11-5-3-4-6-14(11)18-10-13(17)9-15-8-7-12(2)16/h11-17H,3-10H2,1-2H3
InChIKeyPBMRAOXIYFLITM-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol with MolForge

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Related Compounds

1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-[2-(2-hydroxyethoxy)ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632962
1-[2-[ethyl(methyl)amino]ethylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62636800
1-(2-methylcyclohexyl)oxy-3-(2-thiomorpholin-4-ylethylamino)propan-2-ol
CID 106325720
3-[2-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113488
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-(1-cyclohexylethylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62406813
1-[[(1S)-1-cyclohexylethyl]amino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 81388573
1-(2-methylcyclohexyl)oxy-3-(pent-4-yn-2-ylamino)propan-2-ol
CID 113477406
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropanamide
CID 106275908

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol?
The IUPAC name of 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol (CID 64910999) is 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol is CC(O)CCNCC(O)COC1CCCCC1C.
What is the InChIKey of 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol?
The InChIKey is PBMRAOXIYFLITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11-5-3-4-6-14(11)18-10-13(17)9-15-8-7-12(2)16/h11-17H,3-10H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol?
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol is sourced from PubChem (CID 64910999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).