(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine

C18H31NSi — CID 167385378

IUPAC(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C\NC/C=C\C=C/C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NSi/c1-8-10-11-12-15-19-16-13-14-17(9-2)20(6,7)18(3,4)5/h8-14,16,19H,2,15H2,1,3-7H3/b10-8-,12-11-,16-13+,17-14+
InChIKeyREVDZNFUGUQCMQ-WEKSNTBSSA-N
MW289.54 g/mol
LogP5.38
Rot. Bonds7

About (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine

(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine (PubChem CID 167385378) has the molecular formula C18H31NSi and a molecular weight of 289.54 g/mol. Its IUPAC name is (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine
PubChem CID167385378
Molecular FormulaC18H31NSi
Molecular Weight289.54 g/mol
Exact Mass289.22
IUPAC Name(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C(=C\C=C\NC/C=C\C=C/C)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NSi/c1-8-10-11-12-15-19-16-13-14-17(9-2)20(6,7)18(3,4)5/h8-14,16,19H,2,15H2,1,3-7H3/b10-8-,12-11-,16-13+,17-14+
InChIKeyREVDZNFUGUQCMQ-WEKSNTBSSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(Trimethylsilyl)-1,2-dihydropyridine
CID 136664205
(2-bromo-1H-pyridin-2-yl)-trimethylsilane
CID 150592449
1,2-Dihydropyridin-2-yl(dimethyl)silane
CID 173625137
1,2-Dihydropyridin-6-ylmethyl(trimethyl)silane
CID 5249455
trimethyl-[1H-pyridin-2-ylidene(trimethylsilyl)methyl]silane
CID 14788953
2-methylprop-1-enyl(1H-pyridin-2-ylidene)silanylium
CID 172986003
1H-azepin-2-yl(trimethyl)silane
CID 174489846

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine (CID 167385378) is (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine is C=C/C(=C\C=C\NC/C=C\C=C/C)[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine?
The InChIKey is REVDZNFUGUQCMQ-WEKSNTBSSA-N. The full InChI is InChI=1S/C18H31NSi/c1-8-10-11-12-15-19-16-13-14-17(9-2)20(6,7)18(3,4)5/h8-14,16,19H,2,15H2,1,3-7H3/b10-8-,12-11-,16-13+,17-14+.
What are the key properties of (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine?
(1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine has a molecular weight of 289.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-4-[tert-butyl(dimethyl)silyl]-N-[(2Z,4Z)-hexa-2,4-dienyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 167385378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).