5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine

C17H25N3 — CID 79591595

IUPAC5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1nn(CC)c2ccccc12
InChIInChI=1S/C17H25N3/c1-3-13-18-14-9-5-6-11-16-15-10-7-8-12-17(15)20(4-2)19-16/h5-8,10,12,18H,3-4,9,11,13-14H2,1-2H3
InChIKeyXTMGPNSMRMMPGC-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.54
Rot. Bonds8

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

5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine (PubChem CID 79591595) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine
PubChem CID79591595
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine
SMILESCCCNCCC=CCc1nn(CC)c2ccccc12
InChIInChI=1S/C17H25N3/c1-3-13-18-14-9-5-6-11-16-15-10-7-8-12-17(15)20(4-2)19-16/h5-8,10,12,18H,3-4,9,11,13-14H2,1-2H3
InChIKeyXTMGPNSMRMMPGC-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.54
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 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine?
The IUPAC name of 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine (CID 79591595) is 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine.
What is the SMILES notation for 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine?
The canonical SMILES for 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine is CCCNCCC=CCc1nn(CC)c2ccccc12.
What is the InChIKey of 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine?
The InChIKey is XTMGPNSMRMMPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-13-18-14-9-5-6-11-16-15-10-7-8-12-17(15)20(4-2)19-16/h5-8,10,12,18H,3-4,9,11,13-14H2,1-2H3.
What are the key properties of 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine?
5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-3-yl)-N-propylpent-3-en-1-amine is sourced from PubChem (CID 79591595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).