1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide

C18H28N6O2 — CID 71375198

IUPAC1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide
SMILESCN(C)C(=NC(=O)c1cccc(C(=O)N=C(N(C)C)N(C)C)c1)N(C)C
InChIInChI=1S/C18H28N6O2/c1-21(2)17(22(3)4)19-15(25)13-10-9-11-14(12-13)16(26)20-18(23(5)6)24(7)8/h9-12H,1-8H3
InChIKeyVTFBZCNQUYNKRI-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.93
Rot. Bonds2

About 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide

1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide (PubChem CID 71375198) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide
PubChem CID71375198
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide
SMILESCN(C)C(=NC(=O)c1cccc(C(=O)N=C(N(C)C)N(C)C)c1)N(C)C
InChIInChI=1S/C18H28N6O2/c1-21(2)17(22(3)4)19-15(25)13-10-9-11-14(12-13)16(26)20-18(23(5)6)24(7)8/h9-12H,1-8H3
InChIKeyVTFBZCNQUYNKRI-UHFFFAOYSA-N
XLogP0.93
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide (CID 71375198) is 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide is CN(C)C(=NC(=O)c1cccc(C(=O)N=C(N(C)C)N(C)C)c1)N(C)C.
What is the InChIKey of 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide?
The InChIKey is VTFBZCNQUYNKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-21(2)17(22(3)4)19-15(25)13-10-9-11-14(12-13)16(26)20-18(23(5)6)24(7)8/h9-12H,1-8H3.
What are the key properties of 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide?
1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide has a molecular weight of 360.46 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide is sourced from PubChem (CID 71375198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).