1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

C14H29NO3 — CID 104760353

IUPAC1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCOC(C)(C)CNCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO3/c1-14(2,17-3)11-15-9-12(16)10-18-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHBVHACCQESSMDV-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.71
Rot. Bonds8

About 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol

1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (PubChem CID 104760353) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
PubChem CID104760353
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
SMILESCOC(C)(C)CNCC(O)COC1CCCCC1
InChIInChI=1S/C14H29NO3/c1-14(2,17-3)11-15-9-12(16)10-18-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHBVHACCQESSMDV-UHFFFAOYSA-N
XLogP1.71
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
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-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol (CID 104760353) is 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is COC(C)(C)CNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
The InChIKey is HBVHACCQESSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-14(2,17-3)11-15-9-12(16)10-18-13-7-5-4-6-8-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol?
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 104760353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).