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

C18H36N2O4Si2 — CID 154194478

IUPAC1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
SMILESCO[SiH](OC)C(C)CCNc1ccc(NCCC(C)[SiH](OC)OC)cc1
InChIInChI=1S/C18H36N2O4Si2/c1-15(25(21-3)22-4)11-13-19-17-7-9-18(10-8-17)20-14-12-16(2)26(23-5)24-6/h7-10,15-16,19-20,25-26H,11-14H2,1-6H3
InChIKeyMFNDOLFUWLGSAV-UHFFFAOYSA-N
MW400.67 g/mol
LogP3.10
Rot. Bonds14

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

1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine (PubChem CID 154194478) has the molecular formula C18H36N2O4Si2 and a molecular weight of 400.67 g/mol. Its IUPAC name is 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
PubChem CID154194478
Molecular FormulaC18H36N2O4Si2
Molecular Weight400.67 g/mol
Exact Mass400.22
IUPAC Name1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine
SMILESCO[SiH](OC)C(C)CCNc1ccc(NCCC(C)[SiH](OC)OC)cc1
InChIInChI=1S/C18H36N2O4Si2/c1-15(25(21-3)22-4)11-13-19-17-7-9-18(10-8-17)20-14-12-16(2)26(23-5)24-6/h7-10,15-16,19-20,25-26H,11-14H2,1-6H3
InChIKeyMFNDOLFUWLGSAV-UHFFFAOYSA-N
XLogP3.10
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.67
LogP ≤ 53.10
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-diethoxysilylpentyl)benzene-1,4-diamine
CID 154210482
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
1,3-bis[4-(1-hydroxyethylamino)anilino]propan-1-ol
CID 142613544
4-iodo-N-(2-propan-2-yloxyethyl)aniline
CID 60679190
4-chloro-N-(3-methylpentyl)aniline
CID 173121721
N-(3,4-dimethylpentyl)aniline
CID 89346874
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234
4-N-(6-methylheptyl)benzene-1,4-diamine
CID 141141781
4-(12-methyltridecylamino)benzoic acid
CID 21057297
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
N-(3,7-dimethyloct-6-enyl)-4-methoxyaniline
CID 134862029
[4-(3-methylbutylamino)phenyl] 3-methylbutanoate
CID 82531862

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine (CID 154194478) is 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine is CO[SiH](OC)C(C)CCNc1ccc(NCCC(C)[SiH](OC)OC)cc1.
What is the InChIKey of 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine?
The InChIKey is MFNDOLFUWLGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4Si2/c1-15(25(21-3)22-4)11-13-19-17-7-9-18(10-8-17)20-14-12-16(2)26(23-5)24-6/h7-10,15-16,19-20,25-26H,11-14H2,1-6H3.
What are the key properties of 1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine?
1-N,4-N-bis(3-dimethoxysilylbutyl)benzene-1,4-diamine has a molecular weight of 400.67 g/mol, XLogP of 3.10, 14 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-dimethoxysilylbutyl)benzene-1,4-diamine is sourced from PubChem (CID 154194478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).