1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine

C18H24N2 — CID 81231705

IUPAC1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCCC1CCC(C(NC)c2ccc3cccnc3c2)C1
InChIInChI=1S/C18H24N2/c1-3-13-6-7-15(11-13)18(19-2)16-9-8-14-5-4-10-20-17(14)12-16/h4-5,8-10,12-13,15,18-19H,3,6-7,11H2,1-2H3
InChIKeyYJUVMJZGMQZLNL-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine

1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine (PubChem CID 81231705) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine.

Molecular Properties

Compound Name1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
PubChem CID81231705
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine
SMILESCCC1CCC(C(NC)c2ccc3cccnc3c2)C1
InChIInChI=1S/C18H24N2/c1-3-13-6-7-15(11-13)18(19-2)16-9-8-14-5-4-10-20-17(14)12-16/h4-5,8-10,12-13,15,18-19H,3,6-7,11H2,1-2H3
InChIKeyYJUVMJZGMQZLNL-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine?
The IUPAC name of 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine (CID 81231705) is 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine.
What is the SMILES notation for 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine?
The canonical SMILES for 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine is CCC1CCC(C(NC)c2ccc3cccnc3c2)C1.
What is the InChIKey of 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine?
The InChIKey is YJUVMJZGMQZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-13-6-7-15(11-13)18(19-2)16-9-8-14-5-4-10-20-17(14)12-16/h4-5,8-10,12-13,15,18-19H,3,6-7,11H2,1-2H3.
What are the key properties of 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine?
1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclopentyl)-N-methyl-1-quinolin-7-ylmethanamine is sourced from PubChem (CID 81231705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).