N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine

C18H24N2 — CID 82450215

IUPACN-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
SMILESCCNCc1c2c(nc3c(C(C)C)cccc13)CCC2
InChIInChI=1S/C18H24N2/c1-4-19-11-16-14-8-6-10-17(14)20-18-13(12(2)3)7-5-9-15(16)18/h5,7,9,12,19H,4,6,8,10-11H2,1-3H3
InChIKeyBPCQBKHFDMTLTN-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.96
Rot. Bonds4

About N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine

N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine (PubChem CID 82450215) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
PubChem CID82450215
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
SMILESCCNCc1c2c(nc3c(C(C)C)cccc13)CCC2
InChIInChI=1S/C18H24N2/c1-4-19-11-16-14-8-6-10-17(14)20-18-13(12(2)3)7-5-9-15(16)18/h5,7,9,12,19H,4,6,8,10-11H2,1-3H3
InChIKeyBPCQBKHFDMTLTN-UHFFFAOYSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine?
The IUPAC name of N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine (CID 82450215) is N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine is CCNCc1c2c(nc3c(C(C)C)cccc13)CCC2.
What is the InChIKey of N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine?
The InChIKey is BPCQBKHFDMTLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-4-19-11-16-14-8-6-10-17(14)20-18-13(12(2)3)7-5-9-15(16)18/h5,7,9,12,19H,4,6,8,10-11H2,1-3H3.
What are the key properties of N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine?
N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine is sourced from PubChem (CID 82450215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).