N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine

C18H33NSi — CID 106323236

IUPACN-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine
SMILESCc1cccc(CC(CNC(C)(C)C)C[Si](C)(C)C)c1
InChIInChI=1S/C18H33NSi/c1-15-9-8-10-16(11-15)12-17(14-20(5,6)7)13-19-18(2,3)4/h8-11,17,19H,12-14H2,1-7H3
InChIKeyJXFTYNRHTFVYKI-UHFFFAOYSA-N
MW291.56 g/mol
LogP4.88
Rot. Bonds6

About N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine

N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine (PubChem CID 106323236) has the molecular formula C18H33NSi and a molecular weight of 291.56 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine
PubChem CID106323236
Molecular FormulaC18H33NSi
Molecular Weight291.56 g/mol
Exact Mass291.24
IUPAC NameN-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine
SMILESCc1cccc(CC(CNC(C)(C)C)C[Si](C)(C)C)c1
InChIInChI=1S/C18H33NSi/c1-15-9-8-10-16(11-15)12-17(14-20(5,6)7)13-19-18(2,3)4/h8-11,17,19H,12-14H2,1-7H3
InChIKeyJXFTYNRHTFVYKI-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
N-tert-butyl-2-[(3-fluorophenyl)methyl]butan-1-amine
CID 62516409
N-tert-butyl-2-[(3-chlorophenyl)methyl]hexan-1-amine
CID 63522455
N-tert-butyl-2-[(3-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62515251
2-[(3-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323271
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188
1-(2-butylheptyl)-3-methylbenzene
CID 91430281

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine (CID 106323236) is N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine is Cc1cccc(CC(CNC(C)(C)C)C[Si](C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine?
The InChIKey is JXFTYNRHTFVYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NSi/c1-15-9-8-10-16(11-15)12-17(14-20(5,6)7)13-19-18(2,3)4/h8-11,17,19H,12-14H2,1-7H3.
What are the key properties of N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine?
N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine has a molecular weight of 291.56 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-methylphenyl)methyl]-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 106323236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).