3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

C10H24N4O — CID 83010835

IUPAC3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCOCC(C)(CN)NN1CCN(C)CC1
InChIInChI=1S/C10H24N4O/c1-10(8-11,9-15-3)12-14-6-4-13(2)5-7-14/h12H,4-9,11H2,1-3H3
InChIKeyQYCFHFPXATZBLK-UHFFFAOYSA-N
MW216.33 g/mol
LogP-0.90
Rot. Bonds5

About 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine

3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (PubChem CID 83010835) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
PubChem CID83010835
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine
SMILESCOCC(C)(CN)NN1CCN(C)CC1
InChIInChI=1S/C10H24N4O/c1-10(8-11,9-15-3)12-14-6-4-13(2)5-7-14/h12H,4-9,11H2,1-3H3
InChIKeyQYCFHFPXATZBLK-UHFFFAOYSA-N
XLogP-0.90
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine (CID 83010835) is 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is COCC(C)(CN)NN1CCN(C)CC1.
What is the InChIKey of 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
The InChIKey is QYCFHFPXATZBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-10(8-11,9-15-3)12-14-6-4-13(2)5-7-14/h12H,4-9,11H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine?
3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine has a molecular weight of 216.33 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2-N-(4-methylpiperazin-1-yl)propane-1,2-diamine is sourced from PubChem (CID 83010835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).