1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride

C13H17ClN2O — CID 6420002

IUPAC1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3ccccc13)CCCC2.O
InChIInChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
InChIKeyPXGRMZYJAOQPNZ-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.29
Rot. Bonds

About 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride

1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride (PubChem CID 6420002) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride
PubChem CID6420002
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3ccccc13)CCCC2.O
InChIInChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
InChIKeyPXGRMZYJAOQPNZ-UHFFFAOYSA-N
XLogP2.29
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride?
The IUPAC name of 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride (CID 6420002) is 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride.
What is the SMILES notation for 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride?
The canonical SMILES for 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride is Cl.Nc1c2c(nc3ccccc13)CCCC2.O.
What is the InChIKey of 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride?
The InChIKey is PXGRMZYJAOQPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2.
What are the key properties of 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride?
1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride has a molecular weight of 252.75 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride is sourced from PubChem (CID 6420002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).