1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine

C27H53N3OSn — CID 22757039

IUPAC1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine
SMILESCCCC[Sn](CCCC)(CCCC)Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C
InChIInChI=1S/C15H27N3O.3C4H9.Sn/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*1-3-4-2;/h7-8,19H,9-11H2,1-6H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyFZLPEHAJTDMGEB-UHFFFAOYSA-M
MW554.45 g/mol
LogP6.60
Rot. Bonds17

About 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine

1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine (PubChem CID 22757039) has the molecular formula C27H53N3OSn and a molecular weight of 554.45 g/mol. Its IUPAC name is 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine
PubChem CID22757039
Molecular FormulaC27H53N3OSn
Molecular Weight554.45 g/mol
Exact Mass555.32
IUPAC Name1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine
SMILESCCCC[Sn](CCCC)(CCCC)Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C
InChIInChI=1S/C15H27N3O.3C4H9.Sn/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*1-3-4-2;/h7-8,19H,9-11H2,1-6H3;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyFZLPEHAJTDMGEB-UHFFFAOYSA-M
XLogP6.60
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.45
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine (CID 22757039) is 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine is CCCC[Sn](CCCC)(CCCC)Oc1c(CN(C)C)cc(CN(C)C)cc1CN(C)C.
What is the InChIKey of 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine?
The InChIKey is FZLPEHAJTDMGEB-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H27N3O.3C4H9.Sn/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6;3*1-3-4-2;/h7-8,19H,9-11H2,1-6H3;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine?
1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine has a molecular weight of 554.45 g/mol, XLogP of 6.60, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(dimethylamino)methyl]-4-tributylstannyloxyphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 22757039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).