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

C13H18ClN — CID 3058651

IUPACN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCNC1CCc2cc3c(cc21)CCC3.Cl
InChIInChI=1S/C13H17N.ClH/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13;/h7-8,13-14H,2-6H2,1H3;1H
InChIKeyXLPOGSKUOWUPDV-UHFFFAOYSA-N
MW223.75 g/mol
LogP2.80
Rot. Bonds1

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

N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (PubChem CID 3058651) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
PubChem CID3058651
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride
SMILESCNC1CCc2cc3c(cc21)CCC3.Cl
InChIInChI=1S/C13H17N.ClH/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13;/h7-8,13-14H,2-6H2,1H3;1H
InChIKeyXLPOGSKUOWUPDV-UHFFFAOYSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride 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 N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The IUPAC name of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride (CID 3058651) is N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The canonical SMILES for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is CNC1CCc2cc3c(cc21)CCC3.Cl.
What is the InChIKey of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
The InChIKey is XLPOGSKUOWUPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.ClH/c1-14-13-6-5-11-7-9-3-2-4-10(9)8-12(11)13;/h7-8,13-14H,2-6H2,1H3;1H.
What are the key properties of N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride?
N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride has a molecular weight of 223.75 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-1-amine;hydrochloride is sourced from PubChem (CID 3058651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).