2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol

C12H27NO2 — CID 106292488

IUPAC2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-7-12(5,14)10-13-8-9-15-11(2,3)4/h13-14H,6-10H2,1-5H3
InChIKeyKRAQMOGLCLCICB-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.94
Rot. Bonds7

About 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol

2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol (PubChem CID 106292488) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
PubChem CID106292488
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-7-12(5,14)10-13-8-9-15-11(2,3)4/h13-14H,6-10H2,1-5H3
InChIKeyKRAQMOGLCLCICB-UHFFFAOYSA-N
XLogP1.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
CID 106290245
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
2-ethyl-N-(2-methoxyethyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 115943404
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
CID 106292529
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610
3-[2-[(2-hydroxy-2-methylpentyl)amino]ethoxy]benzoic acid
CID 106294591

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol (CID 106292488) is 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol is CCCC(C)(O)CNCCOC(C)(C)C.
What is the InChIKey of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol?
The InChIKey is KRAQMOGLCLCICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-7-12(5,14)10-13-8-9-15-11(2,3)4/h13-14H,6-10H2,1-5H3.
What are the key properties of 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol?
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol has a molecular weight of 217.35 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 2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol is sourced from PubChem (CID 106292488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).