2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol

C24H48N6O — CID 59915543

IUPAC2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol
SMILESCN(C)CCCNCc1cc(CNCCCN(C)C)c(O)c(CNCCCN(C)C)c1
InChIInChI=1S/C24H48N6O/c1-28(2)13-7-10-25-18-21-16-22(19-26-11-8-14-29(3)4)24(31)23(17-21)20-27-12-9-15-30(5)6/h16-17,25-27,31H,7-15,18-20H2,1-6H3
InChIKeyUBDPGWZWCACARC-UHFFFAOYSA-N
MW436.69 g/mol
LogP1.52
Rot. Bonds18

About 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol

2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol (PubChem CID 59915543) has the molecular formula C24H48N6O and a molecular weight of 436.69 g/mol. Its IUPAC name is 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol
PubChem CID59915543
Molecular FormulaC24H48N6O
Molecular Weight436.69 g/mol
Exact Mass436.39
IUPAC Name2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol
SMILESCN(C)CCCNCc1cc(CNCCCN(C)C)c(O)c(CNCCCN(C)C)c1
InChIInChI=1S/C24H48N6O/c1-28(2)13-7-10-25-18-21-16-22(19-26-11-8-14-29(3)4)24(31)23(17-21)20-27-12-9-15-30(5)6/h16-17,25-27,31H,7-15,18-20H2,1-6H3
InChIKeyUBDPGWZWCACARC-UHFFFAOYSA-N
XLogP1.52
TPSA66.04 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.69
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol?
The IUPAC name of 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol (CID 59915543) is 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol.
What is the SMILES notation for 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol?
The canonical SMILES for 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol is CN(C)CCCNCc1cc(CNCCCN(C)C)c(O)c(CNCCCN(C)C)c1.
What is the InChIKey of 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol?
The InChIKey is UBDPGWZWCACARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O/c1-28(2)13-7-10-25-18-21-16-22(19-26-11-8-14-29(3)4)24(31)23(17-21)20-27-12-9-15-30(5)6/h16-17,25-27,31H,7-15,18-20H2,1-6H3.
What are the key properties of 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol?
2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol has a molecular weight of 436.69 g/mol, XLogP of 1.52, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[[3-(dimethylamino)propylamino]methyl]phenol is sourced from PubChem (CID 59915543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).