dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium

C14H23N3O2+2 — CID 2245026

IUPACdimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium
SMILESC[NH+](C)CC[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-15(2)11-12-16(3)10-6-8-13-7-4-5-9-14(13)17(18)19/h4-9H,10-12H2,1-3H3/p+2/b8-6+
InChIKeyWIOJFTGLCXQZJS-SOFGYWHQSA-P
MW265.36 g/mol
LogP-0.73
Rot. Bonds7

About dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium

dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium (PubChem CID 2245026) has the molecular formula C14H23N3O2+2 and a molecular weight of 265.36 g/mol. Its IUPAC name is dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium
PubChem CID2245026
Molecular FormulaC14H23N3O2+2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Namedimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium
SMILESC[NH+](C)CC[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-15(2)11-12-16(3)10-6-8-13-7-4-5-9-14(13)17(18)19/h4-9H,10-12H2,1-3H3/p+2/b8-6+
InChIKeyWIOJFTGLCXQZJS-SOFGYWHQSA-P
XLogP-0.73
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(E)-N-benzyl-N-methyl-3-(2-nitrophenyl)prop-2-en-1-amine
CID 782786
N,N,N',N'-tetrakis[(E)-3-(2-nitrophenyl)prop-2-enyl]octane-1,8-diamine
CID 21188853
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
1-(3,3-dimethylpent-1-enyl)-2-nitrobenzene
CID 69429049
2-[(E)-3-(2-nitrophenyl)prop-2-enyl]isoindole-1,3-dione
CID 15736812
ethane;2-nitrobenzaldehyde
CID 91029364
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium?
The IUPAC name of dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium (CID 2245026) is dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium is C[NH+](C)CC[NH+](C)C/C=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium?
The InChIKey is WIOJFTGLCXQZJS-SOFGYWHQSA-P. The full InChI is InChI=1S/C14H21N3O2/c1-15(2)11-12-16(3)10-6-8-13-7-4-5-9-14(13)17(18)19/h4-9H,10-12H2,1-3H3/p+2/b8-6+.
What are the key properties of dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium?
dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium has a molecular weight of 265.36 g/mol, XLogP of -0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[methyl-[(E)-3-(2-nitrophenyl)prop-2-enyl]azaniumyl]ethyl]azanium is sourced from PubChem (CID 2245026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).