4-(1-aminoethenyl)-N,N-diethylaniline

C12H18N2 — CID 146581099

IUPAC4-(1-aminoethenyl)-N,N-diethylaniline
SMILESC=C(N)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C12H18N2/c1-4-14(5-2)12-8-6-11(7-9-12)10(3)13/h6-9H,3-5,13H2,1-2H3
InChIKeyBZIGPXGQLHAFIF-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.46
Rot. Bonds4

About 4-(1-aminoethenyl)-N,N-diethylaniline

4-(1-aminoethenyl)-N,N-diethylaniline (PubChem CID 146581099) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(1-aminoethenyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1-aminoethenyl)-N,N-diethylaniline
PubChem CID146581099
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(1-aminoethenyl)-N,N-diethylaniline
SMILESC=C(N)c1ccc(N(CC)CC)cc1
InChIInChI=1S/C12H18N2/c1-4-14(5-2)12-8-6-11(7-9-12)10(3)13/h6-9H,3-5,13H2,1-2H3
InChIKeyBZIGPXGQLHAFIF-UHFFFAOYSA-N
XLogP2.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
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2-amino-1-[4-(diethylamino)phenyl]propan-1-one
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4-(diethylamino)-N,N-dimethylbenzenecarbothioamide
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4-N,4-N-diethylbenzene-1,4-diamine chloride
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4-[1-[3-[1-[4-(diethylamino)phenyl]ethenyl]phenyl]ethenyl]-N-ethyl-N-methylaniline
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[(2S)-1-amino-1-oxopropan-2-yl] 4-(diethylamino)benzoate
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[4-(diethylamino)phenyl]urea;hydrochloride
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4-[ethyl(2-hydroxyethyl)amino]-N'-hydroxybenzenecarboximidamide
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1-[4-(diethylamino)phenyl]but-2-en-1-one
CID 162367045

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethenyl)-N,N-diethylaniline?
The IUPAC name of 4-(1-aminoethenyl)-N,N-diethylaniline (CID 146581099) is 4-(1-aminoethenyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(1-aminoethenyl)-N,N-diethylaniline?
The canonical SMILES for 4-(1-aminoethenyl)-N,N-diethylaniline is C=C(N)c1ccc(N(CC)CC)cc1.
What is the InChIKey of 4-(1-aminoethenyl)-N,N-diethylaniline?
The InChIKey is BZIGPXGQLHAFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-14(5-2)12-8-6-11(7-9-12)10(3)13/h6-9H,3-5,13H2,1-2H3.
What are the key properties of 4-(1-aminoethenyl)-N,N-diethylaniline?
4-(1-aminoethenyl)-N,N-diethylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethenyl)-N,N-diethylaniline is sourced from PubChem (CID 146581099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).