N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine

C15H27NSi — CID 103438251

IUPACN-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H27NSi/c1-6-7-12-16(2)13-14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3
InChIKeyVZIIHGKSEQSUBS-UHFFFAOYSA-N
MW249.47 g/mol
LogP3.46
Rot. Bonds6

About N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine

N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine (PubChem CID 103438251) has the molecular formula C15H27NSi and a molecular weight of 249.47 g/mol. Its IUPAC name is N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
PubChem CID103438251
Molecular FormulaC15H27NSi
Molecular Weight249.47 g/mol
Exact Mass249.19
IUPAC NameN-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine
SMILESCCCCN(C)Cc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C15H27NSi/c1-6-7-12-16(2)13-14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3
InChIKeyVZIIHGKSEQSUBS-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.47
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-methylsulfonyl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438475
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-[(4-isocyanophenyl)methyl]-N-methylbutan-1-amine
CID 21029645
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346574
3-[4-[[butyl(methyl)amino]methyl]phenyl]propanoic acid
CID 84758649
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
(4-decylphenyl)-trimethylsilane
CID 69331769
N-[[4-[2-(tert-butylamino)ethyl]phenyl]methyl]-N-methylbutan-1-amine
CID 105346572
N-butyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 169214911
N-methyl-N-(thiophen-2-ylmethyl)-1-(4-trimethylsilylphenyl)methanamine
CID 103438291
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1-(4-trimethylsilylphenyl)methanamine
CID 103438323

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The IUPAC name of N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine (CID 103438251) is N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine is CCCCN(C)Cc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
The InChIKey is VZIIHGKSEQSUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NSi/c1-6-7-12-16(2)13-14-8-10-15(11-9-14)17(3,4)5/h8-11H,6-7,12-13H2,1-5H3.
What are the key properties of N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine?
N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine has a molecular weight of 249.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-trimethylsilylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 103438251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).