N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine

C16H24N2 — CID 79737614

IUPACN-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESCC(C)NCCC=CC1CCCc2cccnc21
InChIInChI=1S/C16H24N2/c1-13(2)17-11-4-3-7-14-8-5-9-15-10-6-12-18-16(14)15/h3,6-7,10,12-14,17H,4-5,8-9,11H2,1-2H3
InChIKeyLRAFJDXCKXGEFW-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.45
Rot. Bonds5

About N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine

N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (PubChem CID 79737614) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
PubChem CID79737614
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESCC(C)NCCC=CC1CCCc2cccnc21
InChIInChI=1S/C16H24N2/c1-13(2)17-11-4-3-7-14-8-5-9-15-10-6-12-18-16(14)15/h3,6-7,10,12-14,17H,4-5,8-9,11H2,1-2H3
InChIKeyLRAFJDXCKXGEFW-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine 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

N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79738216
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylbut-3-en-1-amine
CID 79739069
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
CID 79738717
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 116660575
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 81021345
N-ethyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)pentan-2-amine
CID 79738096
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The IUPAC name of N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (CID 79737614) is N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.
What is the SMILES notation for N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The canonical SMILES for N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is CC(C)NCCC=CC1CCCc2cccnc21.
What is the InChIKey of N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The InChIKey is LRAFJDXCKXGEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13(2)17-11-4-3-7-14-8-5-9-15-10-6-12-18-16(14)15/h3,6-7,10,12-14,17H,4-5,8-9,11H2,1-2H3.
What are the key properties of N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine has a molecular weight of 244.38 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is sourced from PubChem (CID 79737614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).