2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine

C17H23N3 — CID 83219995

IUPAC2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
SMILESCCC1CCC(C)N1Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-3-14-9-8-12(2)20(14)11-13-10-16(18)15-6-4-5-7-17(15)19-13/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H2,18,19)
InChIKeyUPVSJSBTAMNWNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.58
Rot. Bonds3

About 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine

2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine (PubChem CID 83219995) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
PubChem CID83219995
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
SMILESCCC1CCC(C)N1Cc1cc(N)c2ccccc2n1
InChIInChI=1S/C17H23N3/c1-3-14-9-8-12(2)20(14)11-13-10-16(18)15-6-4-5-7-17(15)19-13/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H2,18,19)
InChIKeyUPVSJSBTAMNWNF-UHFFFAOYSA-N
XLogP3.58
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylpyrrolidin-1-yl)methyl]quinolin-4-amine
CID 113319913
2-[(2,6-dimethylthiomorpholin-4-yl)methyl]quinolin-4-amine
CID 115485907
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]aniline
CID 83227586
2-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-4-amine
CID 115485755
2-[(2,3,5-trimethylpiperidin-1-yl)methyl]quinolin-4-amine
CID 114593810
1-[4-(2-ethyl-5-methylpyrrolidin-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 83220143
[3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 83227678
2-(2,3-dihydroindol-1-ylmethyl)quinolin-4-amine
CID 115485710
2-[(3-methoxypiperidin-1-yl)methyl]quinolin-4-amine
CID 102963805
[5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]furan-2-yl]methanamine
CID 83219044
[6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 83221720
3-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 83221609

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine (CID 83219995) is 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine is CCC1CCC(C)N1Cc1cc(N)c2ccccc2n1.
What is the InChIKey of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine?
The InChIKey is UPVSJSBTAMNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-14-9-8-12(2)20(14)11-13-10-16(18)15-6-4-5-7-17(15)19-13/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H2,18,19).
What are the key properties of 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine?
2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 83219995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).