3H-inden-5-ylmethanamine

C10H11N — CID 18726918

IUPAC3H-inden-5-ylmethanamine
SMILESNCc1ccc2c(c1)CC=C2
InChIInChI=1S/C10H11N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3,7,11H2
InChIKeyZQEXYIWRTAPLIT-UHFFFAOYSA-N
MW145.20 g/mol
LogP1.71
Rot. Bonds1

About 3H-inden-5-ylmethanamine

3H-inden-5-ylmethanamine (PubChem CID 18726918) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3H-inden-5-ylmethanamine.

Molecular Properties

Compound Name3H-inden-5-ylmethanamine
PubChem CID18726918
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3H-inden-5-ylmethanamine
SMILESNCc1ccc2c(c1)CC=C2
InChIInChI=1S/C10H11N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3,7,11H2
InChIKeyZQEXYIWRTAPLIT-UHFFFAOYSA-N
XLogP1.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3H-inden-5-ylmethanamine?
The IUPAC name of 3H-inden-5-ylmethanamine (CID 18726918) is 3H-inden-5-ylmethanamine.
What is the SMILES notation for 3H-inden-5-ylmethanamine?
The canonical SMILES for 3H-inden-5-ylmethanamine is NCc1ccc2c(c1)CC=C2.
What is the InChIKey of 3H-inden-5-ylmethanamine?
The InChIKey is ZQEXYIWRTAPLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c11-7-8-4-5-9-2-1-3-10(9)6-8/h1-2,4-6H,3,7,11H2.
What are the key properties of 3H-inden-5-ylmethanamine?
3H-inden-5-ylmethanamine has a molecular weight of 145.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-inden-5-ylmethanamine is sourced from PubChem (CID 18726918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).