2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine

C12H20N4O2Si — CID 70157675

IUPAC2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine
SMILESC[Si](C)(C)CNC(=C[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C12H20N4O2Si/c1-19(2,3)10-15-12(9-16(17)18)14-8-11-5-4-6-13-7-11/h4-7,9,14-15H,8,10H2,1-3H3
InChIKeyWZTYETUFXFGMAL-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.71
Rot. Bonds7

About 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine

2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine (PubChem CID 70157675) has the molecular formula C12H20N4O2Si and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine.

Molecular Properties

Compound Name2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine
PubChem CID70157675
Molecular FormulaC12H20N4O2Si
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine
SMILESC[Si](C)(C)CNC(=C[N+](=O)[O-])NCc1cccnc1
InChIInChI=1S/C12H20N4O2Si/c1-19(2,3)10-15-12(9-16(17)18)14-8-11-5-4-6-13-7-11/h4-7,9,14-15H,8,10H2,1-3H3
InChIKeyWZTYETUFXFGMAL-UHFFFAOYSA-N
XLogP1.71
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-2-nitro-1-N-pentyl-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 15452246
(Z)-1-N'-butyl-1-N'-methyl-2-nitro-1-N-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 67930871
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
2-nitro-1-(pyridin-3-ylmethyl)guanidine
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1-methyl-2-(pyridin-3-ylmethyl)hydrazine;1-nitroethene
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1,1-dimethyl-2-(pyridin-3-ylmethyl)hydrazine;1-nitroethene
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2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
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N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 71321108
(2E,4E)-N-(pyridin-3-ylmethyl)hexa-2,4-dienamide
CID 13405147
(E)-1-N,1-N'-dimethyl-2-nitro-1-N'-(2-pyridin-3-ylethyl)ethene-1,1-diamine
CID 70158207
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 2943822
1-N'-methoxy-1-N-methyl-2-nitro-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 59896622

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine?
The IUPAC name of 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine (CID 70157675) is 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine.
What is the SMILES notation for 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine?
The canonical SMILES for 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine is C[Si](C)(C)CNC(=C[N+](=O)[O-])NCc1cccnc1.
What is the InChIKey of 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine?
The InChIKey is WZTYETUFXFGMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2Si/c1-19(2,3)10-15-12(9-16(17)18)14-8-11-5-4-6-13-7-11/h4-7,9,14-15H,8,10H2,1-3H3.
What are the key properties of 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine?
2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine has a molecular weight of 280.40 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-N-(pyridin-3-ylmethyl)-1-N'-(trimethylsilylmethyl)ethene-1,1-diamine is sourced from PubChem (CID 70157675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).