N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene

C22H35NSi — CID 140997986

IUPACN-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene
SMILESC/C=C/C=C/C.CC1=Cc2ccccc2C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C16H25NSi.C6H10/c1-12-11-13-9-7-8-10-14(13)15(12)18(5,6)17-16(2,3)4;1-3-5-6-4-2/h7-11,15,17H,1-6H3;3-6H,1-2H3/b;5-3+,6-4+
InChIKeyFSHQNBFQKPLFHN-YYZUWOOQSA-N
MW341.62 g/mol
LogP6.46
Rot. Bonds3

About N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene

N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene (PubChem CID 140997986) has the molecular formula C22H35NSi and a molecular weight of 341.62 g/mol. Its IUPAC name is N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene.

Molecular Properties

Compound NameN-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene
PubChem CID140997986
Molecular FormulaC22H35NSi
Molecular Weight341.62 g/mol
Exact Mass341.25
IUPAC NameN-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene
SMILESC/C=C/C=C/C.CC1=Cc2ccccc2C1[Si](C)(C)NC(C)(C)C
InChIInChI=1S/C16H25NSi.C6H10/c1-12-11-13-9-7-8-10-14(13)15(12)18(5,6)17-16(2,3)4;1-3-5-6-4-2/h7-11,15,17H,1-6H3;3-6H,1-2H3/b;5-3+,6-4+
InChIKeyFSHQNBFQKPLFHN-YYZUWOOQSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene?
The IUPAC name of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene (CID 140997986) is N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene.
What is the SMILES notation for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene?
The canonical SMILES for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene is C/C=C/C=C/C.CC1=Cc2ccccc2C1[Si](C)(C)NC(C)(C)C.
What is the InChIKey of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene?
The InChIKey is FSHQNBFQKPLFHN-YYZUWOOQSA-N. The full InChI is InChI=1S/C16H25NSi.C6H10/c1-12-11-13-9-7-8-10-14(13)15(12)18(5,6)17-16(2,3)4;1-3-5-6-4-2/h7-11,15,17H,1-6H3;3-6H,1-2H3/b;5-3+,6-4+.
What are the key properties of N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene?
N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene has a molecular weight of 341.62 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethyl-(2-methyl-1H-inden-1-yl)silyl]-2-methylpropan-2-amine;(2E,4E)-hexa-2,4-diene is sourced from PubChem (CID 140997986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).