1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine

C24H38N4Se2 — CID 86030016

IUPAC1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(CN(C)C)c1[Se][Se]c1c(CN(C)C)cccc1CN(C)C
InChIInChI=1S/C24H38N4Se2/c1-25(2)15-19-11-9-12-20(16-26(3)4)23(19)29-30-24-21(17-27(5)6)13-10-14-22(24)18-28(7)8/h9-14H,15-18H2,1-8H3
InChIKeyMXAYEQZEYVARFW-UHFFFAOYSA-N
MW540.52 g/mol
LogP1.21
Rot. Bonds11

About 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine

1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 86030016) has the molecular formula C24H38N4Se2 and a molecular weight of 540.52 g/mol. Its IUPAC name is 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
PubChem CID86030016
Molecular FormulaC24H38N4Se2
Molecular Weight540.52 g/mol
Exact Mass542.14
IUPAC Name1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1cccc(CN(C)C)c1[Se][Se]c1c(CN(C)C)cccc1CN(C)C
InChIInChI=1S/C24H38N4Se2/c1-25(2)15-19-11-9-12-20(16-26(3)4)23(19)29-30-24-21(17-27(5)6)13-10-14-22(24)18-28(7)8/h9-14H,15-18H2,1-8H3
InChIKeyMXAYEQZEYVARFW-UHFFFAOYSA-N
XLogP1.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.52
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine (CID 86030016) is 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1cccc(CN(C)C)c1[Se][Se]c1c(CN(C)C)cccc1CN(C)C.
What is the InChIKey of 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is MXAYEQZEYVARFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4Se2/c1-25(2)15-19-11-9-12-20(16-26(3)4)23(19)29-30-24-21(17-27(5)6)13-10-14-22(24)18-28(7)8/h9-14H,15-18H2,1-8H3.
What are the key properties of 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 540.52 g/mol, XLogP of 1.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2,6-bis[(dimethylamino)methyl]phenyl]diselanyl]-3-[(dimethylamino)methyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 86030016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).