N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine

C14H18N2 — CID 80649535

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
SMILESC#CCCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h1,4,6-7,15-16H,3,5,8-11H2
InChIKeyUEVSYDATUFNJAP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.16
Rot. Bonds4

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine (PubChem CID 80649535) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
PubChem CID80649535
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
SMILESC#CCCNCc1cccc2c1NCCC2
InChIInChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h1,4,6-7,15-16H,3,5,8-11H2
InChIKeyUEVSYDATUFNJAP-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80648694
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
2-phenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648722
2-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648824
N,N-dimethyl-3-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)propanamide
CID 80649190
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 80649711
N-benzyl-2-(1,2,3,4-tetrahydroquinolin-8-yl)ethanamine
CID 125424059

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine (CID 80649535) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine is C#CCCNCc1cccc2c1NCCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine?
The InChIKey is UEVSYDATUFNJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h1,4,6-7,15-16H,3,5,8-11H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine is sourced from PubChem (CID 80649535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).