3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine

C9H22N2O — CID 59131902

IUPAC3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine
SMILESCNC(C)CC(OC)C(C)NC
InChIInChI=1S/C9H22N2O/c1-7(10-3)6-9(12-5)8(2)11-4/h7-11H,6H2,1-5H3
InChIKeyOAMPXUQJNYBICS-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.61
Rot. Bonds6

About 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine

3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine (PubChem CID 59131902) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine.

Molecular Properties

Compound Name3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine
PubChem CID59131902
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine
SMILESCNC(C)CC(OC)C(C)NC
InChIInChI=1S/C9H22N2O/c1-7(10-3)6-9(12-5)8(2)11-4/h7-11H,6H2,1-5H3
InChIKeyOAMPXUQJNYBICS-UHFFFAOYSA-N
XLogP0.61
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine?
The IUPAC name of 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine (CID 59131902) is 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine.
What is the SMILES notation for 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine?
The canonical SMILES for 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine is CNC(C)CC(OC)C(C)NC.
What is the InChIKey of 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine?
The InChIKey is OAMPXUQJNYBICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-7(10-3)6-9(12-5)8(2)11-4/h7-11H,6H2,1-5H3.
What are the key properties of 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine?
3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine has a molecular weight of 174.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine is sourced from PubChem (CID 59131902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).