1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine

C18H24N2O4 — CID 22572414

IUPAC1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine
SMILESc1cc(N(CC2CO2)CC2CO2)cc(N(CC2CO2)CC2CO2)c1
InChIInChI=1S/C18H24N2O4/c1-2-13(19(5-15-9-21-15)6-16-10-22-16)4-14(3-1)20(7-17-11-23-17)8-18-12-24-18/h1-4,15-18H,5-12H2
InChIKeyJNMJIXITXWBDMJ-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.89
Rot. Bonds10

About 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine (PubChem CID 22572414) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine
PubChem CID22572414
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine
SMILESc1cc(N(CC2CO2)CC2CO2)cc(N(CC2CO2)CC2CO2)c1
InChIInChI=1S/C18H24N2O4/c1-2-13(19(5-15-9-21-15)6-16-10-22-16)4-14(3-1)20(7-17-11-23-17)8-18-12-24-18/h1-4,15-18H,5-12H2
InChIKeyJNMJIXITXWBDMJ-UHFFFAOYSA-N
XLogP0.89
TPSA56.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine (CID 22572414) is 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine is c1cc(N(CC2CO2)CC2CO2)cc(N(CC2CO2)CC2CO2)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is JNMJIXITXWBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-2-13(19(5-15-9-21-15)6-16-10-22-16)4-14(3-1)20(7-17-11-23-17)8-18-12-24-18/h1-4,15-18H,5-12H2.
What are the key properties of 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 332.40 g/mol, XLogP of 0.89, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 22572414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).