N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine

C20H45NSi2 — CID 87570995

IUPACN-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H45NSi2/c1-12-15-22(20(11)14-3,21-19(10)13-2)23(16(4)5,17(6)7)18(8)9/h14,16-19,21H,12-13,15H2,1-11H3/b20-14+
InChIKeyREGUOSNKFZFUJT-XSFVSMFZSA-N
MW355.76 g/mol
LogP6.99
Rot. Bonds10

About N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine

N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine (PubChem CID 87570995) has the molecular formula C20H45NSi2 and a molecular weight of 355.76 g/mol. Its IUPAC name is N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine.

Molecular Properties

Compound NameN-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine
PubChem CID87570995
Molecular FormulaC20H45NSi2
Molecular Weight355.76 g/mol
Exact Mass355.31
IUPAC NameN-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine
SMILESC/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H45NSi2/c1-12-15-22(20(11)14-3,21-19(10)13-2)23(16(4)5,17(6)7)18(8)9/h14,16-19,21H,12-13,15H2,1-11H3/b20-14+
InChIKeyREGUOSNKFZFUJT-XSFVSMFZSA-N
XLogP6.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.76
LogP ≤ 56.99
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-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine?
The IUPAC name of N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine (CID 87570995) is N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine.
What is the SMILES notation for N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine?
The canonical SMILES for N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine is C/C=C(\C)[Si](CCC)(NC(C)CC)[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine?
The InChIKey is REGUOSNKFZFUJT-XSFVSMFZSA-N. The full InChI is InChI=1S/C20H45NSi2/c1-12-15-22(20(11)14-3,21-19(10)13-2)23(16(4)5,17(6)7)18(8)9/h14,16-19,21H,12-13,15H2,1-11H3/b20-14+.
What are the key properties of N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine?
N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine has a molecular weight of 355.76 g/mol, XLogP of 6.99, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-but-2-en-2-yl]-propyl-tri(propan-2-yl)silylsilyl]butan-2-amine is sourced from PubChem (CID 87570995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).