7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

C20H26N2 — CID 135170169

IUPAC7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1ccc2c3c(c(NC4CCCC(C)C4)nc2c1)CCC3
InChIInChI=1S/C20H26N2/c1-13-5-3-6-15(11-13)21-20-18-8-4-7-16(18)17-10-9-14(2)12-19(17)22-20/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyCXFOQYFQDPMDDV-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.02
Rot. Bonds2

About 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 135170169) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID135170169
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1ccc2c3c(c(NC4CCCC(C)C4)nc2c1)CCC3
InChIInChI=1S/C20H26N2/c1-13-5-3-6-15(11-13)21-20-18-8-4-7-16(18)17-10-9-14(2)12-19(17)22-20/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,22)
InChIKeyCXFOQYFQDPMDDV-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 135170169) is 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is Cc1ccc2c3c(c(NC4CCCC(C)C4)nc2c1)CCC3.
What is the InChIKey of 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is CXFOQYFQDPMDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-13-5-3-6-15(11-13)21-20-18-8-4-7-16(18)17-10-9-14(2)12-19(17)22-20/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,22).
What are the key properties of 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 294.44 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 135170169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).