4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline

C11H16N2 — CID 171836943

IUPAC4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline
SMILESCCNc1ccc(/C=C/CN)cc1
InChIInChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h3-8,13H,2,9,12H2,1H3/b4-3+
InChIKeyTZGDSNRPIRKIHG-ONEGZZNKSA-N
MW176.26 g/mol
LogP2.09
Rot. Bonds4

About 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline

4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline (PubChem CID 171836943) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline.

Molecular Properties

Compound Name4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline
PubChem CID171836943
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline
SMILESCCNc1ccc(/C=C/CN)cc1
InChIInChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h3-8,13H,2,9,12H2,1H3/b4-3+
InChIKeyTZGDSNRPIRKIHG-ONEGZZNKSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-[(E)-2-[4-(ethylamino)phenyl]ethenyl]thiophene-2-carbaldehyde
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1-[4-(3-aminoprop-1-enyl)phenyl]propan-2-one
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N,4-diethylaniline
CID 6429431
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
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(E)-3-[4-(3-aminoprop-1-enyl)phenyl]prop-2-enoic acid
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(E)-3-[4-(3-methoxy-3-methylbutyl)phenyl]prop-2-en-1-amine
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N-ethylaniline;formamide
CID 174905180

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline?
The IUPAC name of 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline (CID 171836943) is 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline.
What is the SMILES notation for 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline?
The canonical SMILES for 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline is CCNc1ccc(/C=C/CN)cc1.
What is the InChIKey of 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline?
The InChIKey is TZGDSNRPIRKIHG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-13-11-7-5-10(6-8-11)4-3-9-12/h3-8,13H,2,9,12H2,1H3/b4-3+.
What are the key properties of 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline?
4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-aminoprop-1-enyl]-N-ethylaniline is sourced from PubChem (CID 171836943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).