[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine

C15H21NSi — CID 174773769

IUPAC[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
SMILESCC(C)C1=C([SiH3])CC=C1c1ccc(CN)cc1
InChIInChI=1S/C15H21NSi/c1-10(2)15-13(7-8-14(15)17)12-5-3-11(9-16)4-6-12/h3-7,10H,8-9,16H2,1-2,17H3
InChIKeyCAIOOSDJNSUYQA-UHFFFAOYSA-N
MW243.43 g/mol
LogP2.21
Rot. Bonds3

About [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine

[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine (PubChem CID 174773769) has the molecular formula C15H21NSi and a molecular weight of 243.43 g/mol. Its IUPAC name is [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
PubChem CID174773769
Molecular FormulaC15H21NSi
Molecular Weight243.43 g/mol
Exact Mass243.14
IUPAC Name[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine
SMILESCC(C)C1=C([SiH3])CC=C1c1ccc(CN)cc1
InChIInChI=1S/C15H21NSi/c1-10(2)15-13(7-8-14(15)17)12-5-3-11(9-16)4-6-12/h3-7,10H,8-9,16H2,1-2,17H3
InChIKeyCAIOOSDJNSUYQA-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 52.21
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 [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine?
The IUPAC name of [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine (CID 174773769) is [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine is CC(C)C1=C([SiH3])CC=C1c1ccc(CN)cc1.
What is the InChIKey of [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine?
The InChIKey is CAIOOSDJNSUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NSi/c1-10(2)15-13(7-8-14(15)17)12-5-3-11(9-16)4-6-12/h3-7,10H,8-9,16H2,1-2,17H3.
What are the key properties of [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine?
[4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine has a molecular weight of 243.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-propan-2-yl-4-silylcyclopenta-1,4-dien-1-yl)phenyl]methanamine is sourced from PubChem (CID 174773769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).