2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

C18H29N3 — CID 79739946

IUPAC2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCC(C)(C(N)C1CCCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H29N3/c1-3-18(2,21-12-4-5-13-21)17(19)15-10-6-8-14-9-7-11-20-16(14)15/h7,9,11,15,17H,3-6,8,10,12-13,19H2,1-2H3
InChIKeyJHPXRPRTKQTBNW-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.09
Rot. Bonds4

About 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine

2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (PubChem CID 79739946) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
PubChem CID79739946
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
SMILESCCC(C)(C(N)C1CCCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H29N3/c1-3-18(2,21-12-4-5-13-21)17(19)15-10-6-8-14-9-7-11-20-16(14)15/h7,9,11,15,17H,3-6,8,10,12-13,19H2,1-2H3
InChIKeyJHPXRPRTKQTBNW-UHFFFAOYSA-N
XLogP3.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine with MolForge

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Related Compounds

2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 79732570
2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 116759628
1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79748417
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
5,6,7,8-tetrahydroquinolin-8-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105007390
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-amine
CID 105007437
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
[2,2-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propyl]hydrazine
CID 105203138
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
N,N-diethyl-1-hydrazinyl-2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-amine
CID 105239381
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine (CID 79739946) is 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is CCC(C)(C(N)C1CCCc2cccnc21)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
The InChIKey is JHPXRPRTKQTBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-18(2,21-12-4-5-13-21)17(19)15-10-6-8-14-9-7-11-20-16(14)15/h7,9,11,15,17H,3-6,8,10,12-13,19H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine?
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine is sourced from PubChem (CID 79739946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).