1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride

C16H24ClN — CID 3068087

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C16H23N.ClH/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16;/h10-11,17H,3-9H2,1-2H3;1H
InChIKeyHVBJANMWWGQJOR-UHFFFAOYSA-N
MW265.83 g/mol
LogP3.24
Rot. Bonds3

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 3068087) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID3068087
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C16H23N.ClH/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16;/h10-11,17H,3-9H2,1-2H3;1H
InChIKeyHVBJANMWWGQJOR-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride (CID 3068087) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1c2c(cc3c1CCC3)CCC2.Cl.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is HVBJANMWWGQJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.ClH/c1-11(17-2)9-16-14-7-3-5-12(14)10-13-6-4-8-15(13)16;/h10-11,17H,3-9H2,1-2H3;1H.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 3068087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).