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

C17H23N3 — CID 2790050

IUPACN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C17H23N3/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)
InChIKeyQBYRWBBTOQMSDN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.09
Rot. Bonds5

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

N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 2790050) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID2790050
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNc1c2c(nc3ccccc13)CCC2
InChIInChI=1S/C17H23N3/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)
InChIKeyQBYRWBBTOQMSDN-UHFFFAOYSA-N
XLogP3.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.09
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?
The IUPAC name of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine (CID 2790050) is N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNc1c2c(nc3ccccc13)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is QBYRWBBTOQMSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/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).
What are the key properties of N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 269.39 g/mol, XLogP of 3.09, 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 is sourced from PubChem (CID 2790050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).