1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine

C18H23N3 — CID 115560704

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1N1CC2CCCC2C1
InChIInChI=1S/C18H23N3/c1-19-10-16-9-13-5-2-3-8-17(13)20-18(16)21-11-14-6-4-7-15(14)12-21/h2-3,5,8-9,14-15,19H,4,6-7,10-12H2,1H3
InChIKeyDDIXJLCUNNSJCI-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.19
Rot. Bonds3

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine (PubChem CID 115560704) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
PubChem CID115560704
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1N1CC2CCCC2C1
InChIInChI=1S/C18H23N3/c1-19-10-16-9-13-5-2-3-8-17(13)20-18(16)21-11-14-6-4-7-15(14)12-21/h2-3,5,8-9,14-15,19H,4,6-7,10-12H2,1H3
InChIKeyDDIXJLCUNNSJCI-UHFFFAOYSA-N
XLogP3.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281052
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
N-methyl-1-[2-(2-methylpiperidin-1-yl)quinolin-3-yl]methanamine
CID 43280386
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
1-(4-methylmorpholin-2-yl)-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119123070
1-[2-(3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43282141
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]-N-methylmethanamine
CID 43620591
3-(chloromethyl)-2-(3,4,5-trimethylpiperazin-1-yl)quinoline
CID 114538478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine (CID 115560704) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine is CNCc1cc2ccccc2nc1N1CC2CCCC2C1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine?
The InChIKey is DDIXJLCUNNSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-19-10-16-9-13-5-2-3-8-17(13)20-18(16)21-11-14-6-4-7-15(14)12-21/h2-3,5,8-9,14-15,19H,4,6-7,10-12H2,1H3.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 115560704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).