1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine

C24H48N2O4Si2 — CID 154210482

IUPAC1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine
SMILESCCO[SiH](OCC)C(CC)CCNc1ccc(NCCC(CC)[SiH](OCC)OCC)cc1
InChIInChI=1S/C24H48N2O4Si2/c1-7-23(31(27-9-3)28-10-4)17-19-25-21-13-15-22(16-14-21)26-20-18-24(8-2)32(29-11-5)30-12-6/h13-16,23-26,31-32H,7-12,17-20H2,1-6H3
InChIKeyFIRBTPTXIACGNQ-UHFFFAOYSA-N
MW484.83 g/mol
LogP5.44
Rot. Bonds20

About 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine

1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine (PubChem CID 154210482) has the molecular formula C24H48N2O4Si2 and a molecular weight of 484.83 g/mol. Its IUPAC name is 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine
PubChem CID154210482
Molecular FormulaC24H48N2O4Si2
Molecular Weight484.83 g/mol
Exact Mass484.32
IUPAC Name1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine
SMILESCCO[SiH](OCC)C(CC)CCNc1ccc(NCCC(CC)[SiH](OCC)OCC)cc1
InChIInChI=1S/C24H48N2O4Si2/c1-7-23(31(27-9-3)28-10-4)17-19-25-21-13-15-22(16-14-21)26-20-18-24(8-2)32(29-11-5)30-12-6/h13-16,23-26,31-32H,7-12,17-20H2,1-6H3
InChIKeyFIRBTPTXIACGNQ-UHFFFAOYSA-N
XLogP5.44
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
CID 154194478
4-N-pentan-3-yl-1-N-[2-[4-(pentan-3-ylamino)anilino]ethyl]benzene-1,4-diamine
CID 126713399
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
1-[4-(3,3-difluoropropylamino)phenyl]ethanone
CID 84679618
4-(3,3-difluoropropylamino)benzoic acid
CID 84680878
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
2-ethyl-N'-(4-phenylphenyl)butane-1,4-diamine
CID 81079797
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
4-ethoxy-N-(2-propan-2-ylsulfonylethyl)aniline
CID 106722923
2-chloro-4-(3,3-diethoxypropylamino)benzonitrile
CID 81093718
1-[4-(3-methylbutylamino)phenyl]propan-1-one
CID 95443510
N'-(3-chloro-4-ethoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202949

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine (CID 154210482) is 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine is CCO[SiH](OCC)C(CC)CCNc1ccc(NCCC(CC)[SiH](OCC)OCC)cc1.
What is the InChIKey of 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine?
The InChIKey is FIRBTPTXIACGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O4Si2/c1-7-23(31(27-9-3)28-10-4)17-19-25-21-13-15-22(16-14-21)26-20-18-24(8-2)32(29-11-5)30-12-6/h13-16,23-26,31-32H,7-12,17-20H2,1-6H3.
What are the key properties of 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine?
1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine has a molecular weight of 484.83 g/mol, XLogP of 5.44, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine is sourced from PubChem (CID 154210482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).