2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine

C13H19N3 — CID 143337427

IUPAC2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine
SMILESC=CCCN(CC=C)c1cc(N)ccc1N
InChIInChI=1S/C13H19N3/c1-3-5-9-16(8-4-2)13-10-11(14)6-7-12(13)15/h3-4,6-7,10H,1-2,5,8-9,14-15H2
InChIKeyVMIWPEZLZWFFFN-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.42
Rot. Bonds6

About 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine

2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine (PubChem CID 143337427) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine
PubChem CID143337427
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine
SMILESC=CCCN(CC=C)c1cc(N)ccc1N
InChIInChI=1S/C13H19N3/c1-3-5-9-16(8-4-2)13-10-11(14)6-7-12(13)15/h3-4,6-7,10H,1-2,5,8-9,14-15H2
InChIKeyVMIWPEZLZWFFFN-UHFFFAOYSA-N
XLogP2.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine?
The IUPAC name of 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine (CID 143337427) is 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine.
What is the SMILES notation for 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine?
The canonical SMILES for 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine is C=CCCN(CC=C)c1cc(N)ccc1N.
What is the InChIKey of 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine?
The InChIKey is VMIWPEZLZWFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-5-9-16(8-4-2)13-10-11(14)6-7-12(13)15/h3-4,6-7,10H,1-2,5,8-9,14-15H2.
What are the key properties of 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine?
2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine has a molecular weight of 217.32 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-enyl-2-N-prop-2-enylbenzene-1,2,4-triamine is sourced from PubChem (CID 143337427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).