5-quinolin-8-ylpent-4-yn-1-amine

C14H14N2 — CID 106220165

IUPAC5-quinolin-8-ylpent-4-yn-1-amine
SMILESNCCCC#Cc1cccc2cccnc12
InChIInChI=1S/C14H14N2/c15-10-3-1-2-6-12-7-4-8-13-9-5-11-16-14(12)13/h4-5,7-9,11H,1,3,10,15H2
InChIKeyAOAXNFBKLRCORU-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.33
Rot. Bonds2

About 5-quinolin-8-ylpent-4-yn-1-amine

5-quinolin-8-ylpent-4-yn-1-amine (PubChem CID 106220165) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-quinolin-8-ylpent-4-yn-1-amine.

Molecular Properties

Compound Name5-quinolin-8-ylpent-4-yn-1-amine
PubChem CID106220165
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name5-quinolin-8-ylpent-4-yn-1-amine
SMILESNCCCC#Cc1cccc2cccnc12
InChIInChI=1S/C14H14N2/c15-10-3-1-2-6-12-7-4-8-13-9-5-11-16-14(12)13/h4-5,7-9,11H,1,3,10,15H2
InChIKeyAOAXNFBKLRCORU-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

quinoline-8-carbonitrile;trihydrochloride
CID 141468212
N-methyl-4-(8-methylquinolin-7-yl)but-3-yn-1-amine
CID 170465060
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
5-(2,6-difluorophenyl)pent-4-yn-1-amine
CID 106220097
2-quinolin-8-yloxyethanamine
CID 17174906
N'-(1,10-phenanthrolin-2-yl)propane-1,3-diamine
CID 132938270
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
(E)-4-quinolin-8-ylbut-3-en-1-amine
CID 63968021
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
1-methyl-8-[7-(8-methylnaphthalen-1-yl)hepta-1,6-diynyl]naphthalene
CID 86077952
cobalt;methanediamine;bis(quinolin-8-ol)
CID 87691611
bis(1,10-phenanthroline);dihydrobromide
CID 70430219

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-8-ylpent-4-yn-1-amine?
The IUPAC name of 5-quinolin-8-ylpent-4-yn-1-amine (CID 106220165) is 5-quinolin-8-ylpent-4-yn-1-amine.
What is the SMILES notation for 5-quinolin-8-ylpent-4-yn-1-amine?
The canonical SMILES for 5-quinolin-8-ylpent-4-yn-1-amine is NCCCC#Cc1cccc2cccnc12.
What is the InChIKey of 5-quinolin-8-ylpent-4-yn-1-amine?
The InChIKey is AOAXNFBKLRCORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c15-10-3-1-2-6-12-7-4-8-13-9-5-11-16-14(12)13/h4-5,7-9,11H,1,3,10,15H2.
What are the key properties of 5-quinolin-8-ylpent-4-yn-1-amine?
5-quinolin-8-ylpent-4-yn-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-quinolin-8-ylpent-4-yn-1-amine is sourced from PubChem (CID 106220165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).