N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride

C24H38Cl4N4 — CID 25195436

IUPACN-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
SMILESCN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c2ccccc12.Cl.Cl.Cl.Cl
InChIInChI=1S/C24H34N4.4ClH/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23;;;;/h5-12,25-26H,13-18H2,1-4H3;4*1H
InChIKeyXREPHSYKOHUZPZ-UHFFFAOYSA-N
MW524.41 g/mol
LogP4.98
Rot. Bonds10

About N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride

N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride (PubChem CID 25195436) has the molecular formula C24H38Cl4N4 and a molecular weight of 524.41 g/mol. Its IUPAC name is N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride.

Molecular Properties

Compound NameN-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
PubChem CID25195436
Molecular FormulaC24H38Cl4N4
Molecular Weight524.41 g/mol
Exact Mass522.19
IUPAC NameN-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride
SMILESCN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c2ccccc12.Cl.Cl.Cl.Cl
InChIInChI=1S/C24H34N4.4ClH/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23;;;;/h5-12,25-26H,13-18H2,1-4H3;4*1H
InChIKeyXREPHSYKOHUZPZ-UHFFFAOYSA-N
XLogP4.98
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 166473574
N',N'-dimethyl-N-[(2,3,4,5,6-pentafluorophenyl)methyl]ethane-1,2-diamine
CID 112683482
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
N-[[2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl]methyl]-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 17294819
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 82704885
N-[(2,3-dimethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 60657470
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-[[1-[(2,6-dichlorophenyl)methyl]indol-3-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 124801601
N',N'-diethyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine;dihydrochloride
CID 17294534
N-[(2-methoxy-3-methylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 97179205

Frequently Asked Questions

What is the IUPAC name of N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride?
The IUPAC name of N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride (CID 25195436) is N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride.
What is the SMILES notation for N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride?
The canonical SMILES for N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride is CN(C)CCNCc1c2ccccc2c(CNCCN(C)C)c2ccccc12.Cl.Cl.Cl.Cl.
What is the InChIKey of N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride?
The InChIKey is XREPHSYKOHUZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4.4ClH/c1-27(2)15-13-25-17-23-19-9-5-7-11-21(19)24(18-26-14-16-28(3)4)22-12-8-6-10-20(22)23;;;;/h5-12,25-26H,13-18H2,1-4H3;4*1H.
What are the key properties of N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride?
N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride has a molecular weight of 524.41 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[10-[[2-(dimethylamino)ethylamino]methyl]anthracen-9-yl]methyl]-N',N'-dimethylethane-1,2-diamine;tetrahydrochloride is sourced from PubChem (CID 25195436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).