4-amino-3-methylbutan-2-ol;methane

C6H17NO — CID 158476628

IUPAC4-amino-3-methylbutan-2-ol;methane
SMILESC.CC(O)C(C)CN
InChIInChI=1S/C5H13NO.CH4/c1-4(3-6)5(2)7;/h4-5,7H,3,6H2,1-2H3;1H4
InChIKeyHHACFBIEFHPDEK-UHFFFAOYSA-N
MW119.21 g/mol
LogP0.60
Rot. Bonds2

About 4-amino-3-methylbutan-2-ol;methane

4-amino-3-methylbutan-2-ol;methane (PubChem CID 158476628) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is 4-amino-3-methylbutan-2-ol;methane.

Molecular Properties

Compound Name4-amino-3-methylbutan-2-ol;methane
PubChem CID158476628
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Name4-amino-3-methylbutan-2-ol;methane
SMILESC.CC(O)C(C)CN
InChIInChI=1S/C5H13NO.CH4/c1-4(3-6)5(2)7;/h4-5,7H,3,6H2,1-2H3;1H4
InChIKeyHHACFBIEFHPDEK-UHFFFAOYSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylbutan-2-ol;methane?
The IUPAC name of 4-amino-3-methylbutan-2-ol;methane (CID 158476628) is 4-amino-3-methylbutan-2-ol;methane.
What is the SMILES notation for 4-amino-3-methylbutan-2-ol;methane?
The canonical SMILES for 4-amino-3-methylbutan-2-ol;methane is C.CC(O)C(C)CN.
What is the InChIKey of 4-amino-3-methylbutan-2-ol;methane?
The InChIKey is HHACFBIEFHPDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.CH4/c1-4(3-6)5(2)7;/h4-5,7H,3,6H2,1-2H3;1H4.
What are the key properties of 4-amino-3-methylbutan-2-ol;methane?
4-amino-3-methylbutan-2-ol;methane has a molecular weight of 119.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylbutan-2-ol;methane is sourced from PubChem (CID 158476628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).