1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol

C12H27NO2 — CID 116500217

IUPAC1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol
SMILESCOCCC(C)C(C)(O)CNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(7-8-15-6)12(5,14)9-13-11(2,3)4/h10,13-14H,7-9H2,1-6H3
InChIKeyPREUPAWPBCDIFE-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds6

About 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol

1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol (PubChem CID 116500217) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol
PubChem CID116500217
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol
SMILESCOCCC(C)C(C)(O)CNC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-10(7-8-15-6)12(5,14)9-13-11(2,3)4/h10,13-14H,7-9H2,1-6H3
InChIKeyPREUPAWPBCDIFE-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-5-methoxy-2,3-dimethylpentan-2-ol
CID 116500216
6-methoxy-3,4-dimethyl-1-(propylamino)hexan-3-ol
CID 116500207
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803
2-hydroxy-5-methoxy-3-methyl-2-propan-2-ylpentanoic acid
CID 79304211
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
2-cyclohexyl-5-methoxy-3-methylpentan-2-ol
CID 114795055
1-(2-methoxyethoxyamino)-2,3-dimethylbutan-2-ol
CID 114493478
N-[2-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62457300
2-tert-butyl-5-methoxy-3-methylpentan-1-ol
CID 116500263
2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
1-(2-methoxyethoxy)-3,4,4-trimethylpentane
CID 157211030
1-(4-methoxybutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115601463

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol (CID 116500217) is 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol is COCCC(C)C(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol?
The InChIKey is PREUPAWPBCDIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(7-8-15-6)12(5,14)9-13-11(2,3)4/h10,13-14H,7-9H2,1-6H3.
What are the key properties of 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol?
1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-5-methoxy-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 116500217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).