N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

C17H24ClN3 — CID 2790049

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCNc1c2c(nc3ccccc13)CCC2.Cl
InChIInChI=1S/C17H23N3.ClH/c1-20(2)12-6-11-18-17-13-7-3-4-9-15(13)19-16-10-5-8-14(16)17;/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,19);1H
InChIKeyVUMONPOMUURYML-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.51
Rot. Bonds5

About N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (PubChem CID 2790049) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
PubChem CID2790049
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
SMILESCN(C)CCCNc1c2c(nc3ccccc13)CCC2.Cl
InChIInChI=1S/C17H23N3.ClH/c1-20(2)12-6-11-18-17-13-7-3-4-9-15(13)19-16-10-5-8-14(16)17;/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,19);1H
InChIKeyVUMONPOMUURYML-UHFFFAOYSA-N
XLogP3.51
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride (CID 2790049) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is CN(C)CCCNc1c2c(nc3ccccc13)CCC2.Cl.
What is the InChIKey of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
The InChIKey is VUMONPOMUURYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3.ClH/c1-20(2)12-6-11-18-17-13-7-3-4-9-15(13)19-16-10-5-8-14(16)17;/h3-4,7,9H,5-6,8,10-12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride is sourced from PubChem (CID 2790049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).