N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine

C17H33NO2Si — CID 139699564

IUPACN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine
SMILESCCO[Si](NC(C)(C)C)(OCC)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C17H33NO2Si/c1-9-19-21(20-10-2,18-17(6,7)8)15-12-11-14(13-15)16(3,4)5/h11-13,15,18H,9-10H2,1-8H3
InChIKeyVMIMUOZVWJRMET-UHFFFAOYSA-N
MW311.54 g/mol
LogP4.30
Rot. Bonds6

About N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine

N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine (PubChem CID 139699564) has the molecular formula C17H33NO2Si and a molecular weight of 311.54 g/mol. Its IUPAC name is N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine
PubChem CID139699564
Molecular FormulaC17H33NO2Si
Molecular Weight311.54 g/mol
Exact Mass311.23
IUPAC NameN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine
SMILESCCO[Si](NC(C)(C)C)(OCC)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C17H33NO2Si/c1-9-19-21(20-10-2,18-17(6,7)8)15-12-11-14(13-15)16(3,4)5/h11-13,15,18H,9-10H2,1-8H3
InChIKeyVMIMUOZVWJRMET-UHFFFAOYSA-N
XLogP4.30
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.54
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine (CID 139699564) is N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine is CCO[Si](NC(C)(C)C)(OCC)C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine?
The InChIKey is VMIMUOZVWJRMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2Si/c1-9-19-21(20-10-2,18-17(6,7)8)15-12-11-14(13-15)16(3,4)5/h11-13,15,18H,9-10H2,1-8H3.
What are the key properties of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine?
N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine has a molecular weight of 311.54 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-diethoxysilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139699564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).