4-methoxy-N-methylhexan-3-amine

C8H19NO — CID 116715336

IUPAC4-methoxy-N-methylhexan-3-amine
SMILESCCC(NC)C(CC)OC
InChIInChI=1S/C8H19NO/c1-5-7(9-3)8(6-2)10-4/h7-9H,5-6H2,1-4H3
InChIKeyWBRNKOGSDCLCQJ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.41
Rot. Bonds5

About 4-methoxy-N-methylhexan-3-amine

4-methoxy-N-methylhexan-3-amine (PubChem CID 116715336) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 4-methoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Name4-methoxy-N-methylhexan-3-amine
PubChem CID116715336
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name4-methoxy-N-methylhexan-3-amine
SMILESCCC(NC)C(CC)OC
InChIInChI=1S/C8H19NO/c1-5-7(9-3)8(6-2)10-4/h7-9H,5-6H2,1-4H3
InChIKeyWBRNKOGSDCLCQJ-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methylhexan-3-amine?
The IUPAC name of 4-methoxy-N-methylhexan-3-amine (CID 116715336) is 4-methoxy-N-methylhexan-3-amine.
What is the SMILES notation for 4-methoxy-N-methylhexan-3-amine?
The canonical SMILES for 4-methoxy-N-methylhexan-3-amine is CCC(NC)C(CC)OC.
What is the InChIKey of 4-methoxy-N-methylhexan-3-amine?
The InChIKey is WBRNKOGSDCLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-7(9-3)8(6-2)10-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-N-methylhexan-3-amine?
4-methoxy-N-methylhexan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylhexan-3-amine is sourced from PubChem (CID 116715336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).