N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine

C23H35NSi — CID 22089622

IUPACN-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H35NSi/c1-5-17-24-18-16-22-12-14-23(15-13-22)25(3,4)19-6-7-21-10-8-20(2)9-11-21/h8-15,24H,5-7,16-19H2,1-4H3
InChIKeyFKAJMACNPTYGKL-UHFFFAOYSA-N
MW353.63 g/mol
LogP5.09
Rot. Bonds10

About N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine

N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine (PubChem CID 22089622) has the molecular formula C23H35NSi and a molecular weight of 353.63 g/mol. Its IUPAC name is N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
PubChem CID22089622
Molecular FormulaC23H35NSi
Molecular Weight353.63 g/mol
Exact Mass353.25
IUPAC NameN-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine
SMILESCCCNCCc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C23H35NSi/c1-5-17-24-18-16-22-12-14-23(15-13-22)25(3,4)19-6-7-21-10-8-20(2)9-11-21/h8-15,24H,5-7,16-19H2,1-4H3
InChIKeyFKAJMACNPTYGKL-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.63
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(4-methylphenyl)propyl]-N-propylpropane-1,3-diamine
CID 113410199
N-[2-(4-ethylphenyl)ethyl]propan-1-amine
CID 62550246
N-[2-(4-propylphenyl)ethyl]propan-1-amine
CID 62801755
3-amino-4-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]butan-2-one
CID 22089573
N-propyl-3-(4-propylphenyl)propan-1-amine
CID 64503973
3-chloro-N-[2-(4-methylphenyl)ethyl]propan-1-amine
CID 115215788
dimethyl-[2-(4-methylphenyl)ethyl]-phenylsilane
CID 102435108
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228
4-[2-(4-methylphenyl)ethylamino]butan-1-ol
CID 115217735
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
N',N'-diethyl-N-[3-(4-methylphenyl)propyl]ethane-1,2-diamine
CID 113406144
(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
CID 139774073

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine (CID 22089622) is N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine is CCCNCCc1ccc([Si](C)(C)CCCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine?
The InChIKey is FKAJMACNPTYGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35NSi/c1-5-17-24-18-16-22-12-14-23(15-13-22)25(3,4)19-6-7-21-10-8-20(2)9-11-21/h8-15,24H,5-7,16-19H2,1-4H3.
What are the key properties of N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine?
N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine has a molecular weight of 353.63 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[dimethyl-[3-(4-methylphenyl)propyl]silyl]phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 22089622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).