3-(1H-inden-1-yl)propan-1-amine;hydrochloride

C12H16ClN — CID 141205215

IUPAC3-(1H-inden-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCC1C=Cc2ccccc21
InChIInChI=1S/C12H15N.ClH/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11;/h1-2,4,6-8,11H,3,5,9,13H2;1H
InChIKeyLEKYCSFNPOXFLB-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.96
Rot. Bonds3

About 3-(1H-inden-1-yl)propan-1-amine;hydrochloride

3-(1H-inden-1-yl)propan-1-amine;hydrochloride (PubChem CID 141205215) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 3-(1H-inden-1-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(1H-inden-1-yl)propan-1-amine;hydrochloride
PubChem CID141205215
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name3-(1H-inden-1-yl)propan-1-amine;hydrochloride
SMILESCl.NCCCC1C=Cc2ccccc21
InChIInChI=1S/C12H15N.ClH/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11;/h1-2,4,6-8,11H,3,5,9,13H2;1H
InChIKeyLEKYCSFNPOXFLB-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-inden-1-yl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(1H-inden-1-yl)propan-1-amine;hydrochloride (CID 141205215) is 3-(1H-inden-1-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(1H-inden-1-yl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(1H-inden-1-yl)propan-1-amine;hydrochloride is Cl.NCCCC1C=Cc2ccccc21.
What is the InChIKey of 3-(1H-inden-1-yl)propan-1-amine;hydrochloride?
The InChIKey is LEKYCSFNPOXFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.ClH/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)11;/h1-2,4,6-8,11H,3,5,9,13H2;1H.
What are the key properties of 3-(1H-inden-1-yl)propan-1-amine;hydrochloride?
3-(1H-inden-1-yl)propan-1-amine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-inden-1-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 141205215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).