2-methoxy-N',N'-dimethylbutane-1,4-diamine

C7H18N2O — CID 83826305

IUPAC2-methoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCOC(CN)CCN(C)C
InChIInChI=1S/C7H18N2O/c1-9(2)5-4-7(6-8)10-3/h7H,4-6,8H2,1-3H3
InChIKeyHTDINZOBXRROQU-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.09
Rot. Bonds5

About 2-methoxy-N',N'-dimethylbutane-1,4-diamine

2-methoxy-N',N'-dimethylbutane-1,4-diamine (PubChem CID 83826305) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-methoxy-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N',N'-dimethylbutane-1,4-diamine
PubChem CID83826305
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-methoxy-N',N'-dimethylbutane-1,4-diamine
SMILESCOC(CN)CCN(C)C
InChIInChI=1S/C7H18N2O/c1-9(2)5-4-7(6-8)10-3/h7H,4-6,8H2,1-3H3
InChIKeyHTDINZOBXRROQU-UHFFFAOYSA-N
XLogP-0.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of 2-methoxy-N',N'-dimethylbutane-1,4-diamine (CID 83826305) is 2-methoxy-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-methoxy-N',N'-dimethylbutane-1,4-diamine is COC(CN)CCN(C)C.
What is the InChIKey of 2-methoxy-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is HTDINZOBXRROQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-9(2)5-4-7(6-8)10-3/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-methoxy-N',N'-dimethylbutane-1,4-diamine?
2-methoxy-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N',N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 83826305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).