4-amino-1-methoxy-2,3-dimethylbutan-2-ol

C7H17NO2 — CID 79136033

IUPAC4-amino-1-methoxy-2,3-dimethylbutan-2-ol
SMILESCOCC(C)(O)C(C)CN
InChIInChI=1S/C7H17NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,4-5,8H2,1-3H3
InChIKeyARUAOQJAEZRRHH-UHFFFAOYSA-N
MW147.22 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-1-methoxy-2,3-dimethylbutan-2-ol

4-amino-1-methoxy-2,3-dimethylbutan-2-ol (PubChem CID 79136033) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 4-amino-1-methoxy-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-methoxy-2,3-dimethylbutan-2-ol
PubChem CID79136033
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name4-amino-1-methoxy-2,3-dimethylbutan-2-ol
SMILESCOCC(C)(O)C(C)CN
InChIInChI=1S/C7H17NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,4-5,8H2,1-3H3
InChIKeyARUAOQJAEZRRHH-UHFFFAOYSA-N
XLogP-0.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
CID 165443184
5-amino-1,1-dimethoxy-3,4-dimethylpentan-3-ol
CID 79124870
1,1,3-trimethoxy-2-methylpropan-2-ol
CID 79568106
3-hydroxy-4-methoxy-2,3-dimethylbutanenitrile
CID 79131246
3-amino-2-methylpropane-1,1,1-triol
CID 18979369
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
1-amino-2,3,4-trimethylhexan-3-ol
CID 79135211
2-(methoxymethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 139652134
(2R)-1-amino-2,3-dimethylbutan-2-ol
CID 51684116
2,3,3,4,4-pentamethylpentan-1-amine
CID 146748231
3,3-difluoro-2-methylbutan-1-amine
CID 84647801
1-amino-3-(1-methoxypropan-2-yloxy)-2-methylpropan-2-ol
CID 64821675

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxy-2,3-dimethylbutan-2-ol?
The IUPAC name of 4-amino-1-methoxy-2,3-dimethylbutan-2-ol (CID 79136033) is 4-amino-1-methoxy-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-amino-1-methoxy-2,3-dimethylbutan-2-ol?
The canonical SMILES for 4-amino-1-methoxy-2,3-dimethylbutan-2-ol is COCC(C)(O)C(C)CN.
What is the InChIKey of 4-amino-1-methoxy-2,3-dimethylbutan-2-ol?
The InChIKey is ARUAOQJAEZRRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(4-8)7(2,9)5-10-3/h6,9H,4-5,8H2,1-3H3.
What are the key properties of 4-amino-1-methoxy-2,3-dimethylbutan-2-ol?
4-amino-1-methoxy-2,3-dimethylbutan-2-ol has a molecular weight of 147.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxy-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 79136033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).