2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine

C15H29N5 — CID 139658907

IUPAC2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine
SMILESCN(C)Cc1cc(CN(C)C)c(N)c(CN(C)C)c1N
InChIInChI=1S/C15H29N5/c1-18(2)8-11-7-12(9-19(3)4)15(17)13(14(11)16)10-20(5)6/h7H,8-10,16-17H2,1-6H3
InChIKeyOFWJIDFXIUFMIV-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.04
Rot. Bonds6

About 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine

2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine (PubChem CID 139658907) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine
PubChem CID139658907
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine
SMILESCN(C)Cc1cc(CN(C)C)c(N)c(CN(C)C)c1N
InChIInChI=1S/C15H29N5/c1-18(2)8-11-7-12(9-19(3)4)15(17)13(14(11)16)10-20(5)6/h7H,8-10,16-17H2,1-6H3
InChIKeyOFWJIDFXIUFMIV-UHFFFAOYSA-N
XLogP1.04
TPSA61.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine?
The IUPAC name of 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine (CID 139658907) is 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine.
What is the SMILES notation for 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine?
The canonical SMILES for 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine is CN(C)Cc1cc(CN(C)C)c(N)c(CN(C)C)c1N.
What is the InChIKey of 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine?
The InChIKey is OFWJIDFXIUFMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-18(2)8-11-7-12(9-19(3)4)15(17)13(14(11)16)10-20(5)6/h7H,8-10,16-17H2,1-6H3.
What are the key properties of 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine?
2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[(dimethylamino)methyl]benzene-1,3-diamine is sourced from PubChem (CID 139658907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).