N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C19H28ClN3O — CID 54605075

IUPACN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-22(2)12-6-11-20-19-15-7-4-5-8-17(15)21-18-10-9-14(23-3)13-16(18)19;/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21);1H
InChIKeyMNXIETTXPWTUPP-UHFFFAOYSA-N
MW349.91 g/mol
LogP3.91
Rot. Bonds6

About N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 54605075) has the molecular formula C19H28ClN3O and a molecular weight of 349.91 g/mol. Its IUPAC name is N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID54605075
Molecular FormulaC19H28ClN3O
Molecular Weight349.91 g/mol
Exact Mass349.19
IUPAC NameN-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCOc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3.Cl
InChIInChI=1S/C19H27N3O.ClH/c1-22(2)12-6-11-20-19-15-7-4-5-8-17(15)21-18-10-9-14(23-3)13-16(18)19;/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21);1H
InChIKeyMNXIETTXPWTUPP-UHFFFAOYSA-N
XLogP3.91
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.91
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 54605075) is N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3.Cl.
What is the InChIKey of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is MNXIETTXPWTUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O.ClH/c1-22(2)12-6-11-20-19-15-7-4-5-8-17(15)21-18-10-9-14(23-3)13-16(18)19;/h9-10,13H,4-8,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 349.91 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 54605075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).