(2-indazol-1-ylcycloheptyl)methanamine

C15H21N3 — CID 62140360

IUPAC(2-indazol-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c16-10-12-6-2-1-3-8-14(12)18-15-9-5-4-7-13(15)11-17-18/h4-5,7,9,11-12,14H,1-3,6,8,10,16H2
InChIKeyMEXAFQKMJOZZOE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.12
Rot. Bonds2

About (2-indazol-1-ylcycloheptyl)methanamine

(2-indazol-1-ylcycloheptyl)methanamine (PubChem CID 62140360) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2-indazol-1-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(2-indazol-1-ylcycloheptyl)methanamine
PubChem CID62140360
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(2-indazol-1-ylcycloheptyl)methanamine
SMILESNCC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C15H21N3/c16-10-12-6-2-1-3-8-14(12)18-15-9-5-4-7-13(15)11-17-18/h4-5,7,9,11-12,14H,1-3,6,8,10,16H2
InChIKeyMEXAFQKMJOZZOE-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-indazol-1-ylcycloheptyl)methanamine?
The IUPAC name of (2-indazol-1-ylcycloheptyl)methanamine (CID 62140360) is (2-indazol-1-ylcycloheptyl)methanamine.
What is the SMILES notation for (2-indazol-1-ylcycloheptyl)methanamine?
The canonical SMILES for (2-indazol-1-ylcycloheptyl)methanamine is NCC1CCCCCC1n1ncc2ccccc21.
What is the InChIKey of (2-indazol-1-ylcycloheptyl)methanamine?
The InChIKey is MEXAFQKMJOZZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-10-12-6-2-1-3-8-14(12)18-15-9-5-4-7-13(15)11-17-18/h4-5,7,9,11-12,14H,1-3,6,8,10,16H2.
What are the key properties of (2-indazol-1-ylcycloheptyl)methanamine?
(2-indazol-1-ylcycloheptyl)methanamine has a molecular weight of 243.35 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-indazol-1-ylcycloheptyl)methanamine is sourced from PubChem (CID 62140360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).