2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine

C11H26N2O — CID 89391265

IUPAC2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine
SMILESCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C11H26N2O/c1-10(2,12)7-9-14-11(3,4)6-8-13-5/h13H,6-9,12H2,1-5H3
InChIKeyAIXMXLSAGLJSSY-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.52
Rot. Bonds7

About 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine

2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine (PubChem CID 89391265) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine
PubChem CID89391265
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine
SMILESCNCCC(C)(C)OCCC(C)(C)N
InChIInChI=1S/C11H26N2O/c1-10(2,12)7-9-14-11(3,4)6-8-13-5/h13H,6-9,12H2,1-5H3
InChIKeyAIXMXLSAGLJSSY-UHFFFAOYSA-N
XLogP1.52
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine?
The IUPAC name of 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine (CID 89391265) is 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine.
What is the SMILES notation for 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine?
The canonical SMILES for 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine is CNCCC(C)(C)OCCC(C)(C)N.
What is the InChIKey of 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine?
The InChIKey is AIXMXLSAGLJSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-10(2,12)7-9-14-11(3,4)6-8-13-5/h13H,6-9,12H2,1-5H3.
What are the key properties of 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine?
2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine has a molecular weight of 202.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-amine is sourced from PubChem (CID 89391265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).