3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine

C12H27NO2 — CID 54192015

IUPAC3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine
SMILESCOC(C)C(C)COC(C)C(C)N(C)C
InChIInChI=1S/C12H27NO2/c1-9(11(3)14-7)8-15-12(4)10(2)13(5)6/h9-12H,8H2,1-7H3
InChIKeyPJECSEJPCXBPJH-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.01
Rot. Bonds7

About 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine

3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine (PubChem CID 54192015) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine.

Molecular Properties

Compound Name3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine
PubChem CID54192015
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine
SMILESCOC(C)C(C)COC(C)C(C)N(C)C
InChIInChI=1S/C12H27NO2/c1-9(11(3)14-7)8-15-12(4)10(2)13(5)6/h9-12H,8H2,1-7H3
InChIKeyPJECSEJPCXBPJH-UHFFFAOYSA-N
XLogP2.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-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 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine?
The IUPAC name of 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine (CID 54192015) is 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine.
What is the SMILES notation for 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine?
The canonical SMILES for 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine is COC(C)C(C)COC(C)C(C)N(C)C.
What is the InChIKey of 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine?
The InChIKey is PJECSEJPCXBPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(11(3)14-7)8-15-12(4)10(2)13(5)6/h9-12H,8H2,1-7H3.
What are the key properties of 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine?
3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-methylbutoxy)-N,N-dimethylbutan-2-amine is sourced from PubChem (CID 54192015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).