N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

C13H16N2 — CID 59176406

IUPACN-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCN(C)C1CCCc2cccnc21
InChIInChI=1S/C13H16N2/c1-3-10-15(2)12-8-4-6-11-7-5-9-14-13(11)12/h1,5,7,9,12H,4,6,8,10H2,2H3
InChIKeyYXPDBPQAGYRBME-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.02
Rot. Bonds2

About N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 59176406) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID59176406
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC NameN-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC#CCN(C)C1CCCc2cccnc21
InChIInChI=1S/C13H16N2/c1-3-10-15(2)12-8-4-6-11-7-5-9-14-13(11)12/h1,5,7,9,12H,4,6,8,10H2,2H3
InChIKeyYXPDBPQAGYRBME-UHFFFAOYSA-N
XLogP2.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
(8R)-N-methyl-N-[2-[(2R)-oxan-2-yl]oxyethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 100668970
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-[[1-[2-(aminomethyl)phenyl]triazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;tetrahydrochloride
CID 68794390
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-5,6,7,8-tetrahydroquinoline-8-carboxamide
CID 119035768
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11617982
N-[[1-(1-bromobut-3-enyl)imidazol-4-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine;ethane
CID 143518631
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 59176406) is N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is C#CCN(C)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is YXPDBPQAGYRBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-3-10-15(2)12-8-4-6-11-7-5-9-14-13(11)12/h1,5,7,9,12H,4,6,8,10H2,2H3.
What are the key properties of N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 200.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 59176406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).