2-methoxy-2-methylhexan-3-amine

C8H19NO — CID 79197182

IUPAC2-methoxy-2-methylhexan-3-amine
SMILESCCCC(N)C(C)(C)OC
InChIInChI=1S/C8H19NO/c1-5-6-7(9)8(2,3)10-4/h7H,5-6,9H2,1-4H3
InChIKeyXJPHVZCEUFXUOR-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.54
Rot. Bonds4

About 2-methoxy-2-methylhexan-3-amine

2-methoxy-2-methylhexan-3-amine (PubChem CID 79197182) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-methoxy-2-methylhexan-3-amine.

Molecular Properties

Compound Name2-methoxy-2-methylhexan-3-amine
PubChem CID79197182
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-methoxy-2-methylhexan-3-amine
SMILESCCCC(N)C(C)(C)OC
InChIInChI=1S/C8H19NO/c1-5-6-7(9)8(2,3)10-4/h7H,5-6,9H2,1-4H3
InChIKeyXJPHVZCEUFXUOR-UHFFFAOYSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylhexan-3-amine?
The IUPAC name of 2-methoxy-2-methylhexan-3-amine (CID 79197182) is 2-methoxy-2-methylhexan-3-amine.
What is the SMILES notation for 2-methoxy-2-methylhexan-3-amine?
The canonical SMILES for 2-methoxy-2-methylhexan-3-amine is CCCC(N)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methylhexan-3-amine?
The InChIKey is XJPHVZCEUFXUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-6-7(9)8(2,3)10-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 2-methoxy-2-methylhexan-3-amine?
2-methoxy-2-methylhexan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylhexan-3-amine is sourced from PubChem (CID 79197182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).