1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine

C13H24N2O2Si — CID 54377265

IUPAC1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
SMILESCO[Si](C)(CCCNc1ccc(C)cc1N)OC
InChIInChI=1S/C13H24N2O2Si/c1-11-6-7-13(12(14)10-11)15-8-5-9-18(4,16-2)17-3/h6-7,10,15H,5,8-9,14H2,1-4H3
InChIKeyUXKGEZINULMNEH-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.74
Rot. Bonds7

About 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine

1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine (PubChem CID 54377265) has the molecular formula C13H24N2O2Si and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
PubChem CID54377265
Molecular FormulaC13H24N2O2Si
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine
SMILESCO[Si](C)(CCCNc1ccc(C)cc1N)OC
InChIInChI=1S/C13H24N2O2Si/c1-11-6-7-13(12(14)10-11)15-8-5-9-18(4,16-2)17-3/h6-7,10,15H,5,8-9,14H2,1-4H3
InChIKeyUXKGEZINULMNEH-UHFFFAOYSA-N
XLogP2.74
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
1-N-(2-methoxypropyl)-4-methylbenzene-1,2-diamine
CID 102694434
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
4-methyl-1-N-(1,2-oxazol-5-ylmethyl)benzene-1,2-diamine
CID 106414484
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 61242311
1-N-[(4-methoxyphenyl)methyl]-4-methylbenzene-1,2-diamine;hydrochloride
CID 91826509
1-N-(cyclopentylmethyl)-4-methylbenzene-1,2-diamine
CID 43370979
4-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]benzene-1,2-diamine
CID 80681002
4-methyl-1-N-(3-phenylbutyl)benzene-1,2-diamine
CID 62988549

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine (CID 54377265) is 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine is CO[Si](C)(CCCNc1ccc(C)cc1N)OC.
What is the InChIKey of 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine?
The InChIKey is UXKGEZINULMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2Si/c1-11-6-7-13(12(14)10-11)15-8-5-9-18(4,16-2)17-3/h6-7,10,15H,5,8-9,14H2,1-4H3.
What are the key properties of 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine?
1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine has a molecular weight of 268.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[dimethoxy(methyl)silyl]propyl]-4-methylbenzene-1,2-diamine is sourced from PubChem (CID 54377265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).