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

C16H24ClN — CID 3068092

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)Cc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C16H23N.ClH/c1-16(2,17)10-15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;/h9H,3-8,10,17H2,1-2H3;1H
InChIKeyFHMBFAPFTJVMQZ-UHFFFAOYSA-N
MW265.83 g/mol
LogP3.37
Rot. Bonds2

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

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride (PubChem CID 3068092) 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)-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride
PubChem CID3068092
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride
SMILESCC(C)(N)Cc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C16H23N.ClH/c1-16(2,17)10-15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;/h9H,3-8,10,17H2,1-2H3;1H
InChIKeyFHMBFAPFTJVMQZ-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 53.37
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)-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride (CID 3068092) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride is CC(C)(N)Cc1c2c(cc3c1CCC3)CCC2.Cl.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride?
The InChIKey is FHMBFAPFTJVMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N.ClH/c1-16(2,17)10-15-13-7-3-5-11(13)9-12-6-4-8-14(12)15;/h9H,3-8,10,17H2,1-2H3;1H.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-methylpropan-2-amine;hydrochloride has a molecular weight of 265.83 g/mol, XLogP of 3.37, 2 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)-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 3068092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).