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

C15H29NO2Si — CID 139699532

IUPACN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
SMILESCO[Si](NC(C)(C)C)(OC)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C15H29NO2Si/c1-14(2,3)12-9-10-13(11-12)19(17-7,18-8)16-15(4,5)6/h9-11,13,16H,1-8H3
InChIKeyXCVLPJNOUAXKNE-UHFFFAOYSA-N
MW283.49 g/mol
LogP3.52
Rot. Bonds4

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

N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine (PubChem CID 139699532) has the molecular formula C15H29NO2Si and a molecular weight of 283.49 g/mol. Its IUPAC name is N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
PubChem CID139699532
Molecular FormulaC15H29NO2Si
Molecular Weight283.49 g/mol
Exact Mass283.20
IUPAC NameN-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine
SMILESCO[Si](NC(C)(C)C)(OC)C1C=CC(C(C)(C)C)=C1
InChIInChI=1S/C15H29NO2Si/c1-14(2,3)12-9-10-13(11-12)19(17-7,18-8)16-15(4,5)6/h9-11,13,16H,1-8H3
InChIKeyXCVLPJNOUAXKNE-UHFFFAOYSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 53.52
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)-dimethoxysilyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine (CID 139699532) is N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine is CO[Si](NC(C)(C)C)(OC)C1C=CC(C(C)(C)C)=C1.
What is the InChIKey of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine?
The InChIKey is XCVLPJNOUAXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2Si/c1-14(2,3)12-9-10-13(11-12)19(17-7,18-8)16-15(4,5)6/h9-11,13,16H,1-8H3.
What are the key properties of N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine?
N-[(3-tert-butylcyclopenta-2,4-dien-1-yl)-dimethoxysilyl]-2-methylpropan-2-amine has a molecular weight of 283.49 g/mol, XLogP of 3.52, 4 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)-dimethoxysilyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139699532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).