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

C18H28N2O — CID 79732570

IUPAC2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCCC(C)(C(O)C1CCCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-3-18(2,20-12-4-5-13-20)17(21)15-10-6-8-14-9-7-11-19-16(14)15/h7,9,11,15,17,21H,3-6,8,10,12-13H2,1-2H3
InChIKeyCUVNJIFJXPQGEC-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (PubChem CID 79732570) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
PubChem CID79732570
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
SMILESCCC(C)(C(O)C1CCCc2cccnc21)N1CCCC1
InChIInChI=1S/C18H28N2O/c1-3-18(2,20-12-4-5-13-20)17(21)15-10-6-8-14-9-7-11-19-16(14)15/h7,9,11,15,17,21H,3-6,8,10,12-13H2,1-2H3
InChIKeyCUVNJIFJXPQGEC-UHFFFAOYSA-N
XLogP3.13
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.13
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-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 79739946
2-methyl-2-morpholin-4-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79733286
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
2-methoxy-3,3-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 116713188
3,5,5-trimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hexan-1-ol
CID 115818295
2-ethoxy-2-ethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-amine
CID 116759628
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
4-methylsulfanyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol
CID 103089942
3-(diethylamino)-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-ol
CID 79745841

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-ol?
The IUPAC name of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol (CID 79732570) is 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol.
What is the SMILES notation for 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The canonical SMILES for 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol is CCC(C)(C(O)C1CCCc2cccnc21)N1CCCC1.
What is the InChIKey of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
The InChIKey is CUVNJIFJXPQGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-18(2,20-12-4-5-13-20)17(21)15-10-6-8-14-9-7-11-19-16(14)15/h7,9,11,15,17,21H,3-6,8,10,12-13H2,1-2H3.
What are the key properties of 2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol?
2-methyl-2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)butan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.13, 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-ol is sourced from PubChem (CID 79732570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).