N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine

C16H23N3 — CID 79591303

IUPACN-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine
SMILESCCNCCC=CCc1nn(CC)c2ccccc12
InChIInChI=1S/C16H23N3/c1-3-17-13-9-5-6-11-15-14-10-7-8-12-16(14)19(4-2)18-15/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3
InChIKeyPILIXZZRZOENTG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.15
Rot. Bonds7

About N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine

N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine (PubChem CID 79591303) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine
PubChem CID79591303
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine
SMILESCCNCCC=CCc1nn(CC)c2ccccc12
InChIInChI=1S/C16H23N3/c1-3-17-13-9-5-6-11-15-14-10-7-8-12-16(14)19(4-2)18-15/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3
InChIKeyPILIXZZRZOENTG-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
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 N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine?
The IUPAC name of N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine (CID 79591303) is N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine.
What is the SMILES notation for N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine?
The canonical SMILES for N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine is CCNCCC=CCc1nn(CC)c2ccccc12.
What is the InChIKey of N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine?
The InChIKey is PILIXZZRZOENTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-17-13-9-5-6-11-15-14-10-7-8-12-16(14)19(4-2)18-15/h5-8,10,12,17H,3-4,9,11,13H2,1-2H3.
What are the key properties of N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine?
N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(1-ethylindazol-3-yl)pent-3-en-1-amine is sourced from PubChem (CID 79591303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).