2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine

C23H33N3 — CID 139445424

IUPAC2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine
SMILESC=CCCCNc1cccc2c(=C)n(C(C)CCC(=C)NCC)c(=C)c12
InChIInChI=1S/C23H33N3/c1-7-9-10-16-25-22-13-11-12-21-19(5)26(20(6)23(21)22)18(4)15-14-17(3)24-8-2/h7,11-13,18,24-25H,1,3,5-6,8-10,14-16H2,2,4H3
InChIKeyLBUYYAWLTMLHMH-UHFFFAOYSA-N
MW351.54 g/mol
LogP4.30
Rot. Bonds11

About 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine

2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine (PubChem CID 139445424) has the molecular formula C23H33N3 and a molecular weight of 351.54 g/mol. Its IUPAC name is 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine.

Molecular Properties

Compound Name2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine
PubChem CID139445424
Molecular FormulaC23H33N3
Molecular Weight351.54 g/mol
Exact Mass351.27
IUPAC Name2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine
SMILESC=CCCCNc1cccc2c(=C)n(C(C)CCC(=C)NCC)c(=C)c12
InChIInChI=1S/C23H33N3/c1-7-9-10-16-25-22-13-11-12-21-19(5)26(20(6)23(21)22)18(4)15-14-17(3)24-8-2/h7,11-13,18,24-25H,1,3,5-6,8-10,14-16H2,2,4H3
InChIKeyLBUYYAWLTMLHMH-UHFFFAOYSA-N
XLogP4.30
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine?
The IUPAC name of 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine (CID 139445424) is 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine.
What is the SMILES notation for 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine?
The canonical SMILES for 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine is C=CCCCNc1cccc2c(=C)n(C(C)CCC(=C)NCC)c(=C)c12.
What is the InChIKey of 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine?
The InChIKey is LBUYYAWLTMLHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3/c1-7-9-10-16-25-22-13-11-12-21-19(5)26(20(6)23(21)22)18(4)15-14-17(3)24-8-2/h7,11-13,18,24-25H,1,3,5-6,8-10,14-16H2,2,4H3.
What are the key properties of 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine?
2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine has a molecular weight of 351.54 g/mol, XLogP of 4.30, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)hex-5-en-2-yl]-1,3-dimethylidene-N-pent-4-enylisoindol-4-amine is sourced from PubChem (CID 139445424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).