N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine

C26H42N2Si — CID 10597713

IUPACN-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine
SMILESCC(CCNCc1ccccc1)C[Si](C)(C)CC(C)CCNCc1ccccc1
InChIInChI=1S/C26H42N2Si/c1-23(15-17-27-19-25-11-7-5-8-12-25)21-29(3,4)22-24(2)16-18-28-20-26-13-9-6-10-14-26/h5-14,23-24,27-28H,15-22H2,1-4H3
InChIKeyVBHITWWXPXKMIN-UHFFFAOYSA-N
MW410.72 g/mol
LogP6.33
Rot. Bonds14

About N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine

N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine (PubChem CID 10597713) has the molecular formula C26H42N2Si and a molecular weight of 410.72 g/mol. Its IUPAC name is N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine
PubChem CID10597713
Molecular FormulaC26H42N2Si
Molecular Weight410.72 g/mol
Exact Mass410.31
IUPAC NameN-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine
SMILESCC(CCNCc1ccccc1)C[Si](C)(C)CC(C)CCNCc1ccccc1
InChIInChI=1S/C26H42N2Si/c1-23(15-17-27-19-25-11-7-5-8-12-25)21-29(3,4)22-24(2)16-18-28-20-26-13-9-6-10-14-26/h5-14,23-24,27-28H,15-22H2,1-4H3
InChIKeyVBHITWWXPXKMIN-UHFFFAOYSA-N
XLogP6.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 56.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 91402380
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CID 23217639
(1R)-3-(benzylamino)-1-(4-methoxyphenyl)propan-1-ol
CID 94281330
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CID 145164103

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine?
The IUPAC name of N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine (CID 10597713) is N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine?
The canonical SMILES for N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine is CC(CCNCc1ccccc1)C[Si](C)(C)CC(C)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine?
The InChIKey is VBHITWWXPXKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2Si/c1-23(15-17-27-19-25-11-7-5-8-12-25)21-29(3,4)22-24(2)16-18-28-20-26-13-9-6-10-14-26/h5-14,23-24,27-28H,15-22H2,1-4H3.
What are the key properties of N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine?
N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine has a molecular weight of 410.72 g/mol, XLogP of 6.33, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine is sourced from PubChem (CID 10597713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).