N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine

C14H20N2O2 — CID 146169982

IUPACN-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-11(2)15(12(3)4)10-9-13-5-7-14(8-6-13)16(17)18/h5-12H,1-4H3/b10-9+
InChIKeyGVGTWDATGNHTDC-MDZDMXLPSA-N
MW248.33 g/mol
LogP3.68
Rot. Bonds5

About N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine

N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine (PubChem CID 146169982) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine
PubChem CID146169982
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C
InChIInChI=1S/C14H20N2O2/c1-11(2)15(12(3)4)10-9-13-5-7-14(8-6-13)16(17)18/h5-12H,1-4H3/b10-9+
InChIKeyGVGTWDATGNHTDC-MDZDMXLPSA-N
XLogP3.68
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
(E,2S)-4-(4-nitrophenyl)but-3-en-2-ol
CID 23730866
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
CID 23271274
1-[(Z)-2-methoxyethenyl]-4-nitrobenzene
CID 12555318
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
3-(4-nitrophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79346825
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
(Z)-4-(4-nitrophenyl)but-3-en-2-one
CID 11769342
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine (CID 146169982) is N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine is CC(C)N(/C=C/c1ccc([N+](=O)[O-])cc1)C(C)C.
What is the InChIKey of N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is GVGTWDATGNHTDC-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(2)15(12(3)4)10-9-13-5-7-14(8-6-13)16(17)18/h5-12H,1-4H3/b10-9+.
What are the key properties of N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine?
N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(4-nitrophenyl)ethenyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 146169982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).