1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol

C14H29NO3 — CID 65106025

IUPAC1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
SMILESCC1CCCC(OCC(O)CNCC(C)(C)O)C1
InChIInChI=1S/C14H29NO3/c1-11-5-4-6-13(7-11)18-9-12(16)8-15-10-14(2,3)17/h11-13,15-17H,4-10H2,1-3H3
InChIKeyOPKRBPYQSUIXFE-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.30
Rot. Bonds7

About 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol

1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol (PubChem CID 65106025) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
PubChem CID65106025
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
SMILESCC1CCCC(OCC(O)CNCC(C)(C)O)C1
InChIInChI=1S/C14H29NO3/c1-11-5-4-6-13(7-11)18-9-12(16)8-15-10-14(2,3)17/h11-13,15-17H,4-10H2,1-3H3
InChIKeyOPKRBPYQSUIXFE-UHFFFAOYSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 104760485
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
1-(3-methylcyclohexyl)oxy-3-(oxolan-3-ylmethylamino)propan-2-ol
CID 54914266
1-(2-bicyclo[2.2.1]heptanylmethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63682308
1-(3-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045638

Frequently Asked Questions

What is the IUPAC name of 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol (CID 65106025) is 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol is CC1CCCC(OCC(O)CNCC(C)(C)O)C1.
What is the InChIKey of 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol?
The InChIKey is OPKRBPYQSUIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-11-5-4-6-13(7-11)18-9-12(16)8-15-10-14(2,3)17/h11-13,15-17H,4-10H2,1-3H3.
What are the key properties of 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol?
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 65106025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).