3-methoxy-3-methylbutan-1-amine;molecular hydrogen

C6H17NO — CID 168927134

IUPAC3-methoxy-3-methylbutan-1-amine;molecular hydrogen
SMILESCOC(C)(C)CCN.[H][H]
InChIInChI=1S/C6H15NO.H2/c1-6(2,8-3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyBVRRFNVZQYQYDY-UHFFFAOYSA-N
MW119.21 g/mol
LogP1.01
Rot. Bonds3

About 3-methoxy-3-methylbutan-1-amine;molecular hydrogen

3-methoxy-3-methylbutan-1-amine;molecular hydrogen (PubChem CID 168927134) has the molecular formula C6H17NO and a molecular weight of 119.21 g/mol. Its IUPAC name is 3-methoxy-3-methylbutan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name3-methoxy-3-methylbutan-1-amine;molecular hydrogen
PubChem CID168927134
Molecular FormulaC6H17NO
Molecular Weight119.21 g/mol
Exact Mass119.13
IUPAC Name3-methoxy-3-methylbutan-1-amine;molecular hydrogen
SMILESCOC(C)(C)CCN.[H][H]
InChIInChI=1S/C6H15NO.H2/c1-6(2,8-3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKeyBVRRFNVZQYQYDY-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methylbutan-1-amine;molecular hydrogen?
The IUPAC name of 3-methoxy-3-methylbutan-1-amine;molecular hydrogen (CID 168927134) is 3-methoxy-3-methylbutan-1-amine;molecular hydrogen.
What is the SMILES notation for 3-methoxy-3-methylbutan-1-amine;molecular hydrogen?
The canonical SMILES for 3-methoxy-3-methylbutan-1-amine;molecular hydrogen is COC(C)(C)CCN.[H][H].
What is the InChIKey of 3-methoxy-3-methylbutan-1-amine;molecular hydrogen?
The InChIKey is BVRRFNVZQYQYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.H2/c1-6(2,8-3)4-5-7;/h4-5,7H2,1-3H3;1H.
What are the key properties of 3-methoxy-3-methylbutan-1-amine;molecular hydrogen?
3-methoxy-3-methylbutan-1-amine;molecular hydrogen has a molecular weight of 119.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methylbutan-1-amine;molecular hydrogen is sourced from PubChem (CID 168927134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).