3-methoxy-N-methylhexan-2-amine

C8H19NO — CID 116718737

IUPAC3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(C)NC
InChIInChI=1S/C8H19NO/c1-5-6-8(10-4)7(2)9-3/h7-9H,5-6H2,1-4H3
InChIKeyYQPXUZYTRHGSII-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.41
Rot. Bonds5

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

3-methoxy-N-methylhexan-2-amine (PubChem CID 116718737) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methylhexan-2-amine
PubChem CID116718737
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-methoxy-N-methylhexan-2-amine
SMILESCCCC(OC)C(C)NC
InChIInChI=1S/C8H19NO/c1-5-6-8(10-4)7(2)9-3/h7-9H,5-6H2,1-4H3
InChIKeyYQPXUZYTRHGSII-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 3-methoxy-N-methylhexan-2-amine?
The IUPAC name of 3-methoxy-N-methylhexan-2-amine (CID 116718737) is 3-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 3-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 3-methoxy-N-methylhexan-2-amine is CCCC(OC)C(C)NC.
What is the InChIKey of 3-methoxy-N-methylhexan-2-amine?
The InChIKey is YQPXUZYTRHGSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-6-8(10-4)7(2)9-3/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-methoxy-N-methylhexan-2-amine?
3-methoxy-N-methylhexan-2-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 3-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 116718737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).