2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine

C13H17N3 — CID 115656450

IUPAC2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
SMILESc1cc2cn[nH]c2cc1CNCCC1CC1
InChIInChI=1S/C13H17N3/c1-2-10(1)5-6-14-8-11-3-4-12-9-15-16-13(12)7-11/h3-4,7,9-10,14H,1-2,5-6,8H2,(H,15,16)
InChIKeyZSUMXHFFHGFGDD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine

2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine (PubChem CID 115656450) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
PubChem CID115656450
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
SMILESc1cc2cn[nH]c2cc1CNCCC1CC1
InChIInChI=1S/C13H17N3/c1-2-10(1)5-6-14-8-11-3-4-12-9-15-16-13(12)7-11/h3-4,7,9-10,14H,1-2,5-6,8H2,(H,15,16)
InChIKeyZSUMXHFFHGFGDD-UHFFFAOYSA-N
XLogP2.45
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine (CID 115656450) is 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine is c1cc2cn[nH]c2cc1CNCCC1CC1.
What is the InChIKey of 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine?
The InChIKey is ZSUMXHFFHGFGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-10(1)5-6-14-8-11-3-4-12-9-15-16-13(12)7-11/h3-4,7,9-10,14H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine?
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine has a molecular weight of 215.30 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine is sourced from PubChem (CID 115656450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).