N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C26H38N4 — CID 990837

IUPACN'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12
InChIInChI=1S/C26H38N4/c1-27(2)15-17-29(5)19-25-21-11-7-9-13-23(21)26(20-30(6)18-16-28(3)4)24-14-10-8-12-22(24)25/h7-14H,15-20H2,1-6H3
InChIKeyKOLPZKQPBGVSAU-UHFFFAOYSA-N
MW406.62 g/mol
LogP3.98
Rot. Bonds10

About N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 990837) has the molecular formula C26H38N4 and a molecular weight of 406.62 g/mol. Its IUPAC name is N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID990837
Molecular FormulaC26H38N4
Molecular Weight406.62 g/mol
Exact Mass406.31
IUPAC NameN'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12
InChIInChI=1S/C26H38N4/c1-27(2)15-17-29(5)19-25-21-11-7-9-13-23(21)26(20-30(6)18-16-28(3)4)24-14-10-8-12-22(24)25/h7-14H,15-20H2,1-6H3
InChIKeyKOLPZKQPBGVSAU-UHFFFAOYSA-N
XLogP3.98
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 990837) is N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1c2ccccc2c(CN(C)CCN(C)C)c2ccccc12.
What is the InChIKey of N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is KOLPZKQPBGVSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4/c1-27(2)15-17-29(5)19-25-21-11-7-9-13-23(21)26(20-30(6)18-16-28(3)4)24-14-10-8-12-22(24)25/h7-14H,15-20H2,1-6H3.
What are the key properties of N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 406.62 g/mol, XLogP of 3.98, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[10-[[2-(dimethylamino)ethyl-methylamino]methyl]anthracen-9-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 990837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).