1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride

C12H16ClN — CID 3047420

IUPAC1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCl.NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C12H15N.ClH/c13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12;/h6-7,12H,1-5,13H2;1H
InChIKeyGBBQTQATNHIFKH-UHFFFAOYSA-N
MW209.72 g/mol
LogP2.54
Rot. Bonds

About 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride

1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (PubChem CID 3047420) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
PubChem CID3047420
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCl.NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C12H15N.ClH/c13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12;/h6-7,12H,1-5,13H2;1H
InChIKeyGBBQTQATNHIFKH-UHFFFAOYSA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 122764
5-Adpi
CID 192600
(R)-(-)-1-Aminoindan
CID 2733933
1-Aminoindane, (S)-
CID 7000084
(+-)-1-Aminoindan
CID 123445
9H-fluoren-9-amine hydrochloride
CID 2724685
1-Aminoindane Hydrochloride
CID 2794441
(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-amine
CID 67140611
1-(3,4-Dimethylphenyl)ethan-1-amine
CID 5086468
5,6-diethyl-2,3-dihydro-1H-inden-2-amine
CID 10192615
1-(9H-Fluoren-1-yl)-ethylamine
CID 14023209
alpha,2,4,6-Tetramethyl phenethylamine, hydrochloride
CID 91248

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The IUPAC name of 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (CID 3047420) is 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.
What is the SMILES notation for 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The canonical SMILES for 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is Cl.NC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The InChIKey is GBBQTQATNHIFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.ClH/c13-12-5-4-10-6-8-2-1-3-9(8)7-11(10)12;/h6-7,12H,1-5,13H2;1H.
What are the key properties of 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride has a molecular weight of 209.72 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is sourced from PubChem (CID 3047420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).