(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine

C29H46N2Si2 — CID 139155584

IUPAC(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine
SMILESCC(C)(C)c1ccc(/C(=C/C(=N/[Si](C)(C)C)c2ccc(C(C)(C)C)cc2)N[Si](C)(C)C)cc1
InChIInChI=1S/C29H46N2Si2/c1-28(2,3)24-17-13-22(14-18-24)26(30-32(7,8)9)21-27(31-33(10,11)12)23-15-19-25(20-16-23)29(4,5)6/h13-21,30H,1-12H3/b26-21-,31-27-
InChIKeyRZEDKAGYPRXGEY-JJMXMMSTSA-N
MW478.87 g/mol
LogP8.37
Rot. Bonds6

About (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine

(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine (PubChem CID 139155584) has the molecular formula C29H46N2Si2 and a molecular weight of 478.87 g/mol. Its IUPAC name is (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine
PubChem CID139155584
Molecular FormulaC29H46N2Si2
Molecular Weight478.87 g/mol
Exact Mass478.32
IUPAC Name(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine
SMILESCC(C)(C)c1ccc(/C(=C/C(=N/[Si](C)(C)C)c2ccc(C(C)(C)C)cc2)N[Si](C)(C)C)cc1
InChIInChI=1S/C29H46N2Si2/c1-28(2,3)24-17-13-22(14-18-24)26(30-32(7,8)9)21-27(31-33(10,11)12)23-15-19-25(20-16-23)29(4,5)6/h13-21,30H,1-12H3/b26-21-,31-27-
InChIKeyRZEDKAGYPRXGEY-JJMXMMSTSA-N
XLogP8.37
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.87
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[4-(trifluoromethyl)phenyl]-N-trimethylsilylprop-1-en-1-amine
CID 134992779
4-tert-butylbenzohydrazide;hydrochloride
CID 175372968
1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
(E)-1-(4-tert-butylphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 11777637
(Z)-1-(4-tert-butylphenyl)-3-[4-[(Z)-3-(4-tert-butylphenyl)-1-hydroxy-3-oxoprop-1-enyl]phenyl]-3-hydroxyprop-2-en-1-one
CID 122387607
CID 172553263
CID 172553263
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
2,2-bis(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 23377158
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
4-tert-butylbenzoic acid;copper
CID 67780260

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine?
The IUPAC name of (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine (CID 139155584) is (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine is CC(C)(C)c1ccc(/C(=C/C(=N/[Si](C)(C)C)c2ccc(C(C)(C)C)cc2)N[Si](C)(C)C)cc1.
What is the InChIKey of (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine?
The InChIKey is RZEDKAGYPRXGEY-JJMXMMSTSA-N. The full InChI is InChI=1S/C29H46N2Si2/c1-28(2,3)24-17-13-22(14-18-24)26(30-32(7,8)9)21-27(31-33(10,11)12)23-15-19-25(20-16-23)29(4,5)6/h13-21,30H,1-12H3/b26-21-,31-27-.
What are the key properties of (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine?
(Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine has a molecular weight of 478.87 g/mol, XLogP of 8.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-1,3-bis(4-tert-butylphenyl)-N-trimethylsilyl-3-trimethylsilyliminoprop-1-en-1-amine is sourced from PubChem (CID 139155584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).