5-indazol-1-yl-N-propylpentan-1-amine

C15H23N3 — CID 62448825

IUPAC5-indazol-1-yl-N-propylpentan-1-amine
SMILESCCCNCCCCCn1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-2-10-16-11-6-3-7-12-18-15-9-5-4-8-14(15)13-17-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3
InChIKeyRBOYNCVCWYZVFL-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.21
Rot. Bonds8

About 5-indazol-1-yl-N-propylpentan-1-amine

5-indazol-1-yl-N-propylpentan-1-amine (PubChem CID 62448825) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-indazol-1-yl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-indazol-1-yl-N-propylpentan-1-amine
PubChem CID62448825
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-indazol-1-yl-N-propylpentan-1-amine
SMILESCCCNCCCCCn1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-2-10-16-11-6-3-7-12-18-15-9-5-4-8-14(15)13-17-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3
InChIKeyRBOYNCVCWYZVFL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-indazol-1-yl-N-propylpentan-1-amine?
The IUPAC name of 5-indazol-1-yl-N-propylpentan-1-amine (CID 62448825) is 5-indazol-1-yl-N-propylpentan-1-amine.
What is the SMILES notation for 5-indazol-1-yl-N-propylpentan-1-amine?
The canonical SMILES for 5-indazol-1-yl-N-propylpentan-1-amine is CCCNCCCCCn1ncc2ccccc21.
What is the InChIKey of 5-indazol-1-yl-N-propylpentan-1-amine?
The InChIKey is RBOYNCVCWYZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-10-16-11-6-3-7-12-18-15-9-5-4-8-14(15)13-17-18/h4-5,8-9,13,16H,2-3,6-7,10-12H2,1H3.
What are the key properties of 5-indazol-1-yl-N-propylpentan-1-amine?
5-indazol-1-yl-N-propylpentan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indazol-1-yl-N-propylpentan-1-amine is sourced from PubChem (CID 62448825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).