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

C7H18N2O — CID 62066012

IUPAC4-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCNC(C)(CN)CCOC
InChIInChI=1S/C7H18N2O/c1-7(6-8,9-2)4-5-10-3/h9H,4-6,8H2,1-3H3
InChIKeyBOOBXIKERYQXJP-UHFFFAOYSA-N
MW146.23 g/mol
LogP-0.04
Rot. Bonds5

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

4-methoxy-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 62066012) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 4-methoxy-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-2-N,2-dimethylbutane-1,2-diamine
PubChem CID62066012
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name4-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCNC(C)(CN)CCOC
InChIInChI=1S/C7H18N2O/c1-7(6-8,9-2)4-5-10-3/h9H,4-6,8H2,1-3H3
InChIKeyBOOBXIKERYQXJP-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 4-methoxy-2-N,2-dimethylbutane-1,2-diamine (CID 62066012) is 4-methoxy-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 4-methoxy-2-N,2-dimethylbutane-1,2-diamine is CNC(C)(CN)CCOC.
What is the InChIKey of 4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is BOOBXIKERYQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-7(6-8,9-2)4-5-10-3/h9H,4-6,8H2,1-3H3.
What are the key properties of 4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
4-methoxy-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 146.23 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62066012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).