4-methoxy-2,2-dimethylbutan-1-amine

C7H17NO — CID 62739589

IUPAC4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CN
InChIInChI=1S/C7H17NO/c1-7(2,6-8)4-5-9-3/h4-6,8H2,1-3H3
InChIKeyIGWSTDYRCFOAGN-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.01
Rot. Bonds4

About 4-methoxy-2,2-dimethylbutan-1-amine

4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 62739589) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID62739589
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CN
InChIInChI=1S/C7H17NO/c1-7(2,6-8)4-5-9-3/h4-6,8H2,1-3H3
InChIKeyIGWSTDYRCFOAGN-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of 4-methoxy-2,2-dimethylbutan-1-amine (CID 62739589) is 4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CN.
What is the InChIKey of 4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is IGWSTDYRCFOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-7(2,6-8)4-5-9-3/h4-6,8H2,1-3H3.
What are the key properties of 4-methoxy-2,2-dimethylbutan-1-amine?
4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62739589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).