1-[methyl(phenyl)silyl]butane-1,4-diamine

C11H20N2Si — CID 123314308

IUPAC1-[methyl(phenyl)silyl]butane-1,4-diamine
SMILESC[SiH](c1ccccc1)C(N)CCCN
InChIInChI=1S/C11H20N2Si/c1-14(11(13)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11,14H,5,8-9,12-13H2,1H3
InChIKeyVYQCUJNRACVKLJ-UHFFFAOYSA-N
MW208.38 g/mol
LogP0.36
Rot. Bonds5

About 1-[methyl(phenyl)silyl]butane-1,4-diamine

1-[methyl(phenyl)silyl]butane-1,4-diamine (PubChem CID 123314308) has the molecular formula C11H20N2Si and a molecular weight of 208.38 g/mol. Its IUPAC name is 1-[methyl(phenyl)silyl]butane-1,4-diamine.

Molecular Properties

Compound Name1-[methyl(phenyl)silyl]butane-1,4-diamine
PubChem CID123314308
Molecular FormulaC11H20N2Si
Molecular Weight208.38 g/mol
Exact Mass208.14
IUPAC Name1-[methyl(phenyl)silyl]butane-1,4-diamine
SMILESC[SiH](c1ccccc1)C(N)CCCN
InChIInChI=1S/C11H20N2Si/c1-14(11(13)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11,14H,5,8-9,12-13H2,1H3
InChIKeyVYQCUJNRACVKLJ-UHFFFAOYSA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(phenyl)silyl]propan-1-amine
CID 172834952
(5S)-5-methyl-6-phenylhexane-1,4-diamine
CID 90974267
7-phenylheptane-1,4-diamine
CID 174860311
6-phenylhexane-1,4-diamine
CID 23163544
2-phenylpentane-1,5-diamine
CID 22770284
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
(1R)-1-(3-phenylphenyl)butane-1,4-diamine
CID 171214569
4-fluoro-5-phenylpentan-1-amine
CID 83855308
(1S)-1-(2-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171219977
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
4,6-diphenylhexane-1,5-diamine
CID 19005200
4-[methyl(phenyl)silyl]butanenitrile
CID 123718156

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(phenyl)silyl]butane-1,4-diamine?
The IUPAC name of 1-[methyl(phenyl)silyl]butane-1,4-diamine (CID 123314308) is 1-[methyl(phenyl)silyl]butane-1,4-diamine.
What is the SMILES notation for 1-[methyl(phenyl)silyl]butane-1,4-diamine?
The canonical SMILES for 1-[methyl(phenyl)silyl]butane-1,4-diamine is C[SiH](c1ccccc1)C(N)CCCN.
What is the InChIKey of 1-[methyl(phenyl)silyl]butane-1,4-diamine?
The InChIKey is VYQCUJNRACVKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2Si/c1-14(11(13)8-5-9-12)10-6-3-2-4-7-10/h2-4,6-7,11,14H,5,8-9,12-13H2,1H3.
What are the key properties of 1-[methyl(phenyl)silyl]butane-1,4-diamine?
1-[methyl(phenyl)silyl]butane-1,4-diamine has a molecular weight of 208.38 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(phenyl)silyl]butane-1,4-diamine is sourced from PubChem (CID 123314308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).