4-methoxy-N,2,2-trimethylbutan-1-amine

C8H19NO — CID 62724727

IUPAC4-methoxy-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCOC
InChIInChI=1S/C8H19NO/c1-8(2,7-9-3)5-6-10-4/h9H,5-7H2,1-4H3
InChIKeyWTLDHVORKBAOPU-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds5

About 4-methoxy-N,2,2-trimethylbutan-1-amine

4-methoxy-N,2,2-trimethylbutan-1-amine (PubChem CID 62724727) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-methoxy-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,2,2-trimethylbutan-1-amine
PubChem CID62724727
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-methoxy-N,2,2-trimethylbutan-1-amine
SMILESCNCC(C)(C)CCOC
InChIInChI=1S/C8H19NO/c1-8(2,7-9-3)5-6-10-4/h9H,5-7H2,1-4H3
InChIKeyWTLDHVORKBAOPU-UHFFFAOYSA-N
XLogP1.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methoxy-N,2,2-trimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 4-methoxy-N,2,2-trimethylbutan-1-amine (CID 62724727) is 4-methoxy-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-N,2,2-trimethylbutan-1-amine is CNCC(C)(C)CCOC.
What is the InChIKey of 4-methoxy-N,2,2-trimethylbutan-1-amine?
The InChIKey is WTLDHVORKBAOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,7-9-3)5-6-10-4/h9H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-N,2,2-trimethylbutan-1-amine?
4-methoxy-N,2,2-trimethylbutan-1-amine has a molecular weight of 145.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 62724727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).