1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol

C15H31NO3 — CID 104760485

IUPAC1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCOC(C)(C)CNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-11-15(2,3)18-4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyQNISNEJPHMYULP-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds8

About 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol

1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 104760485) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID104760485
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCOC(C)(C)CNCC(O)COC1CCCC(C)C1
InChIInChI=1S/C15H31NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-11-15(2,3)18-4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyQNISNEJPHMYULP-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
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-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
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-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 104760485) is 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol is COC(C)(C)CNCC(O)COC1CCCC(C)C1.
What is the InChIKey of 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is QNISNEJPHMYULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-12-6-5-7-14(8-12)19-10-13(17)9-16-11-15(2,3)18-4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-methylpropyl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 104760485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).