2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine

C17H23N3 — CID 146276254

IUPAC2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine
SMILESC=CNC(=C)CCC(C)N1Cc2c(N)cccc2C1=C
InChIInChI=1S/C17H23N3/c1-5-19-12(2)9-10-13(3)20-11-16-15(14(20)4)7-6-8-17(16)18/h5-8,13,19H,1-2,4,9-11,18H2,3H3
InChIKeyFKLXJJAQGSTEPJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.47
Rot. Bonds6

About 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine

2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine (PubChem CID 146276254) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine.

Molecular Properties

Compound Name2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine
PubChem CID146276254
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine
SMILESC=CNC(=C)CCC(C)N1Cc2c(N)cccc2C1=C
InChIInChI=1S/C17H23N3/c1-5-19-12(2)9-10-13(3)20-11-16-15(14(20)4)7-6-8-17(16)18/h5-8,13,19H,1-2,4,9-11,18H2,3H3
InChIKeyFKLXJJAQGSTEPJ-UHFFFAOYSA-N
XLogP3.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine?
The IUPAC name of 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine (CID 146276254) is 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine.
What is the SMILES notation for 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine?
The canonical SMILES for 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine is C=CNC(=C)CCC(C)N1Cc2c(N)cccc2C1=C.
What is the InChIKey of 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine?
The InChIKey is FKLXJJAQGSTEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-19-12(2)9-10-13(3)20-11-16-15(14(20)4)7-6-8-17(16)18/h5-8,13,19H,1-2,4,9-11,18H2,3H3.
What are the key properties of 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine?
2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethenylamino)hex-5-en-2-yl]-1-methylidene-3H-isoindol-4-amine is sourced from PubChem (CID 146276254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).