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

C17H26N2 — CID 79738216

IUPACN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESCC(C)CNCCC=CC1CCCc2cccnc21
InChIInChI=1S/C17H26N2/c1-14(2)13-18-11-4-3-7-15-8-5-9-16-10-6-12-19-17(15)16/h3,6-7,10,12,14-15,18H,4-5,8-9,11,13H2,1-2H3
InChIKeyYWYKOUSPBYPHOQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.69
Rot. Bonds6

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

N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (PubChem CID 79738216) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
PubChem CID79738216
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
SMILESCC(C)CNCCC=CC1CCCc2cccnc21
InChIInChI=1S/C17H26N2/c1-14(2)13-18-11-4-3-7-15-8-5-9-16-10-6-12-19-17(15)16/h3,6-7,10,12,14-15,18H,4-5,8-9,11,13H2,1-2H3
InChIKeyYWYKOUSPBYPHOQ-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.69
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'}

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Related Compounds

N-propan-2-yl-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 79737614
N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)pent-3-en-1-amine
CID 79738717
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-methoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 102695976
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine
CID 116660575
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
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 79080089
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine (CID 79738216) is N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is CC(C)CNCCC=CC1CCCc2cccnc21.
What is the InChIKey of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
The InChIKey is YWYKOUSPBYPHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14(2)13-18-11-4-3-7-15-8-5-9-16-10-6-12-19-17(15)16/h3,6-7,10,12,14-15,18H,4-5,8-9,11,13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine?
N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)but-3-en-1-amine is sourced from PubChem (CID 79738216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).