N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine

C18H35NSi — CID 101363120

IUPACN-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCCCCC1=C(C)C(C)=C(C)C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C18H35NSi/c1-10-11-12-16-14(3)13(2)15(4)17(16)20(8,9)19-18(5,6)7/h17,19H,10-12H2,1-9H3
InChIKeyVZMLWXQGYMMSQW-UHFFFAOYSA-N
MW293.57 g/mol
LogP5.81
Rot. Bonds5

About N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine

N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (PubChem CID 101363120) has the molecular formula C18H35NSi and a molecular weight of 293.57 g/mol. Its IUPAC name is N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
PubChem CID101363120
Molecular FormulaC18H35NSi
Molecular Weight293.57 g/mol
Exact Mass293.25
IUPAC NameN-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine
SMILESCCCCC1=C(C)C(C)=C(C)C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C18H35NSi/c1-10-11-12-16-14(3)13(2)15(4)17(16)20(8,9)19-18(5,6)7/h17,19H,10-12H2,1-9H3
InChIKeyVZMLWXQGYMMSQW-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.57
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine (CID 101363120) is N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is CCCCC1=C(C)C(C)=C(C)C1[Si](C)(C)NC(C)(C)C.
What is the InChIKey of N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
The InChIKey is VZMLWXQGYMMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NSi/c1-10-11-12-16-14(3)13(2)15(4)17(16)20(8,9)19-18(5,6)7/h17,19H,10-12H2,1-9H3.
What are the key properties of N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine?
N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine has a molecular weight of 293.57 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-3,4,5-trimethylcyclopenta-2,4-dien-1-yl)-dimethylsilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 101363120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).