4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine

C11H26N4O2 — CID 83012072

IUPAC4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
SMILESCOC(CC(CN)NN1CCN(C)CC1)OC
InChIInChI=1S/C11H26N4O2/c1-14-4-6-15(7-5-14)13-10(9-12)8-11(16-2)17-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyXWDRKZUYXNZZOI-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.93
Rot. Bonds7

About 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine

4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine (PubChem CID 83012072) has the molecular formula C11H26N4O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine.

Molecular Properties

Compound Name4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
PubChem CID83012072
Molecular FormulaC11H26N4O2
Molecular Weight246.35 g/mol
Exact Mass246.21
IUPAC Name4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
SMILESCOC(CC(CN)NN1CCN(C)CC1)OC
InChIInChI=1S/C11H26N4O2/c1-14-4-6-15(7-5-14)13-10(9-12)8-11(16-2)17-3/h10-11,13H,4-9,12H2,1-3H3
InChIKeyXWDRKZUYXNZZOI-UHFFFAOYSA-N
XLogP-0.93
TPSA62.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The IUPAC name of 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine (CID 83012072) is 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine.
What is the SMILES notation for 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The canonical SMILES for 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine is COC(CC(CN)NN1CCN(C)CC1)OC.
What is the InChIKey of 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
The InChIKey is XWDRKZUYXNZZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O2/c1-14-4-6-15(7-5-14)13-10(9-12)8-11(16-2)17-3/h10-11,13H,4-9,12H2,1-3H3.
What are the key properties of 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine?
4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine has a molecular weight of 246.35 g/mol, XLogP of -0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine is sourced from PubChem (CID 83012072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).