N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene

C52H75N3Si3 — CID 157330068

IUPACN-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene
SMILESC=Cc1ccc(CNCCC[SiH2]C)cc1.C=Cc1ccccc1.C[SiH2]CCCNCc1ccc(CC(Cc2ccc(CNCCC[SiH2]C)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H46N2Si2.C13H21NSi.C8H8/c1-34-20-6-18-32-24-28-14-10-26(11-15-28)22-31(30-8-4-3-5-9-30)23-27-12-16-29(17-13-27)25-33-19-7-21-35-2;1-3-12-5-7-13(8-6-12)11-14-9-4-10-15-2;1-2-8-6-4-3-5-7-8/h3-5,8-17,31-33H,6-7,18-25,34-35H2,1-2H3;3,5-8,14H,1,4,9-11,15H2,2H3;2-7H,1H2
InChIKeyBFEJNOBFVXHEGL-UHFFFAOYSA-N
MW826.45 g/mol
LogP10.26
Rot. Bonds25

About N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene

N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene (PubChem CID 157330068) has the molecular formula C52H75N3Si3 and a molecular weight of 826.45 g/mol. Its IUPAC name is N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene.

Molecular Properties

Compound NameN-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene
PubChem CID157330068
Molecular FormulaC52H75N3Si3
Molecular Weight826.45 g/mol
Exact Mass825.53
IUPAC NameN-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene
SMILESC=Cc1ccc(CNCCC[SiH2]C)cc1.C=Cc1ccccc1.C[SiH2]CCCNCc1ccc(CC(Cc2ccc(CNCCC[SiH2]C)cc2)c2ccccc2)cc1
InChIInChI=1S/C31H46N2Si2.C13H21NSi.C8H8/c1-34-20-6-18-32-24-28-14-10-26(11-15-28)22-31(30-8-4-3-5-9-30)23-27-12-16-29(17-13-27)25-33-19-7-21-35-2;1-3-12-5-7-13(8-6-12)11-14-9-4-10-15-2;1-2-8-6-4-3-5-7-8/h3-5,8-17,31-33H,6-7,18-25,34-35H2,1-2H3;3,5-8,14H,1,4,9-11,15H2,2H3;2-7H,1H2
InChIKeyBFEJNOBFVXHEGL-UHFFFAOYSA-N
XLogP10.26
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.45
LogP ≤ 510.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene with MolForge

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Related Compounds

1-ethenyl-4-(2-phenylbutyl)benzene
CID 175031243
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CID 173235754
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
(2R)-2-[(4-ethenylphenyl)methylamino]-3-phenylpropan-1-ol
CID 101210967
N-pentylpentan-1-amine;styrene
CID 69462371
N-[(4-ethenylphenyl)methyl]-2-methylpropan-1-amine
CID 90317414
ethane;2-[2-(4-ethenylphenyl)ethylamino]-1-phenylethanol
CID 144821977
N-[(4-ethenylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 143022866
N-[(3-ethenylphenyl)methyl]-3-triethoxysilylpropan-1-amine
CID 54124529
N-[5-(4-methylphenyl)-4-phenylpentyl]formamide
CID 155049356
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
CID 10273675

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene?
The IUPAC name of N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene (CID 157330068) is N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene.
What is the SMILES notation for N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene?
The canonical SMILES for N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene is C=Cc1ccc(CNCCC[SiH2]C)cc1.C=Cc1ccccc1.C[SiH2]CCCNCc1ccc(CC(Cc2ccc(CNCCC[SiH2]C)cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene?
The InChIKey is BFEJNOBFVXHEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2Si2.C13H21NSi.C8H8/c1-34-20-6-18-32-24-28-14-10-26(11-15-28)22-31(30-8-4-3-5-9-30)23-27-12-16-29(17-13-27)25-33-19-7-21-35-2;1-3-12-5-7-13(8-6-12)11-14-9-4-10-15-2;1-2-8-6-4-3-5-7-8/h3-5,8-17,31-33H,6-7,18-25,34-35H2,1-2H3;3,5-8,14H,1,4,9-11,15H2,2H3;2-7H,1H2.
What are the key properties of N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene?
N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene has a molecular weight of 826.45 g/mol, XLogP of 10.26, 25 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethenylphenyl)methyl]-3-methylsilylpropan-1-amine;3-methylsilyl-N-[[4-[3-[4-[(3-methylsilylpropylamino)methyl]phenyl]-2-phenylpropyl]phenyl]methyl]propan-1-amine;styrene is sourced from PubChem (CID 157330068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).