N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine

C14H20N2 — CID 116660575

IUPACN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h3,5,8,10,12-13,15H,1,4,6-7,9H2,2H3
InChIKeyGWFRBXMRTGRRJQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.67
Rot. Bonds4

About N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine

N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (PubChem CID 116660575) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
PubChem CID116660575
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESC=CCC(NC)C1CCCc2cccnc21
InChIInChI=1S/C14H20N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h3,5,8,10,12-13,15H,1,4,6-7,9H2,2H3
InChIKeyGWFRBXMRTGRRJQ-UHFFFAOYSA-N
XLogP2.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-1-amine
CID 79748892
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-2-phenylethanamine
CID 79747873
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
N-methyl-1-(4-methylcyclohexyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748851
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
1-(5,6,7,8-tetrahydroquinolin-8-yl)hexylhydrazine
CID 105320905
2-(4-chlorophenoxy)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 105166131
1-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748617
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (CID 116660575) is N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is C=CCC(NC)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The InChIKey is GWFRBXMRTGRRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h3,5,8,10,12-13,15H,1,4,6-7,9H2,2H3.
What are the key properties of N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine has a molecular weight of 216.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is sourced from PubChem (CID 116660575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).