4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine

C11H17N3 — CID 131246902

IUPAC4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
SMILESCC/C=C/CNc1ccc(N)c(N)c1
InChIInChI=1S/C11H17N3/c1-2-3-4-7-14-9-5-6-10(12)11(13)8-9/h3-6,8,14H,2,7,12-13H2,1H3/b4-3+
InChIKeyZHAGVJTVFJFSJU-ONEGZZNKSA-N
MW191.28 g/mol
LogP2.23
Rot. Bonds4

About 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine

4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine (PubChem CID 131246902) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
PubChem CID131246902
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
SMILESCC/C=C/CNc1ccc(N)c(N)c1
InChIInChI=1S/C11H17N3/c1-2-3-4-7-14-9-5-6-10(12)11(13)8-9/h3-6,8,14H,2,7,12-13H2,1H3/b4-3+
InChIKeyZHAGVJTVFJFSJU-ONEGZZNKSA-N
XLogP2.23
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-N-[(E)-pent-2-enyl]benzene-1,4-diamine
CID 131239425
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
4-N-tert-butylbenzene-1,2,4-triamine
CID 106750276
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133203
3-(3-amino-4-methoxyanilino)prop-1-en-1-ol
CID 68967625
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
3-(3,4-diaminoanilino)-2-methylpropane-1,2-diol
CID 106750959
4-N-[2-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine
CID 106750235
4-[(E)-but-1-enyl]-1-N-(4-methylpentan-2-yl)benzene-1,3-diamine
CID 68638074
2-[3-(3-aminoanilino)prop-1-enyl]-5-methylbenzene-1,4-diamine
CID 69341202

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine (CID 131246902) is 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine is CC/C=C/CNc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine?
The InChIKey is ZHAGVJTVFJFSJU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-3-4-7-14-9-5-6-10(12)11(13)8-9/h3-6,8,14H,2,7,12-13H2,1H3/b4-3+.
What are the key properties of 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine?
4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine has a molecular weight of 191.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine is sourced from PubChem (CID 131246902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).