5-indazol-1-yl-N-propan-2-ylpentan-1-amine

C15H23N3 — CID 62449017

IUPAC5-indazol-1-yl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCn1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-13(2)16-10-6-3-7-11-18-15-9-5-4-8-14(15)12-17-18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3
InChIKeyMWIHNQCYADXZEV-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.20
Rot. Bonds7

About 5-indazol-1-yl-N-propan-2-ylpentan-1-amine

5-indazol-1-yl-N-propan-2-ylpentan-1-amine (PubChem CID 62449017) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-indazol-1-yl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-indazol-1-yl-N-propan-2-ylpentan-1-amine
PubChem CID62449017
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-indazol-1-yl-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCn1ncc2ccccc21
InChIInChI=1S/C15H23N3/c1-13(2)16-10-6-3-7-11-18-15-9-5-4-8-14(15)12-17-18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3
InChIKeyMWIHNQCYADXZEV-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.20
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-propan-2-ylpentan-1-amine?
The IUPAC name of 5-indazol-1-yl-N-propan-2-ylpentan-1-amine (CID 62449017) is 5-indazol-1-yl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-indazol-1-yl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-indazol-1-yl-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCn1ncc2ccccc21.
What is the InChIKey of 5-indazol-1-yl-N-propan-2-ylpentan-1-amine?
The InChIKey is MWIHNQCYADXZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-13(2)16-10-6-3-7-11-18-15-9-5-4-8-14(15)12-17-18/h4-5,8-9,12-13,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of 5-indazol-1-yl-N-propan-2-ylpentan-1-amine?
5-indazol-1-yl-N-propan-2-ylpentan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.20, 7 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-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62449017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).