4,4-dimethoxy-2-N-methylbutane-1,2-diamine

C7H18N2O2 — CID 66268052

IUPAC4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCNC(CN)CC(OC)OC
InChIInChI=1S/C7H18N2O2/c1-9-6(5-8)4-7(10-2)11-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRQJHXJGEXZHORA-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.46
Rot. Bonds6

About 4,4-dimethoxy-2-N-methylbutane-1,2-diamine

4,4-dimethoxy-2-N-methylbutane-1,2-diamine (PubChem CID 66268052) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-methylbutane-1,2-diamine
PubChem CID66268052
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name4,4-dimethoxy-2-N-methylbutane-1,2-diamine
SMILESCNC(CN)CC(OC)OC
InChIInChI=1S/C7H18N2O2/c1-9-6(5-8)4-7(10-2)11-3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyRQJHXJGEXZHORA-UHFFFAOYSA-N
XLogP-0.46
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-methylbutane-1,2-diamine (CID 66268052) is 4,4-dimethoxy-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-methylbutane-1,2-diamine is CNC(CN)CC(OC)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
The InChIKey is RQJHXJGEXZHORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-9-6(5-8)4-7(10-2)11-3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4,4-dimethoxy-2-N-methylbutane-1,2-diamine?
4,4-dimethoxy-2-N-methylbutane-1,2-diamine has a molecular weight of 162.23 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 66268052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).