N-methyl-1-quinolin-8-ylbut-3-yn-1-amine

C14H14N2 — CID 105077186

IUPACN-methyl-1-quinolin-8-ylbut-3-yn-1-amine
SMILESC#CCC(NC)c1cccc2cccnc12
InChIInChI=1S/C14H14N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h1,4-5,7-10,13,15H,6H2,2H3
InChIKeyOJRLGHNZBAWSIN-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.52
Rot. Bonds3

About N-methyl-1-quinolin-8-ylbut-3-yn-1-amine

N-methyl-1-quinolin-8-ylbut-3-yn-1-amine (PubChem CID 105077186) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-1-quinolin-8-ylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-8-ylbut-3-yn-1-amine
PubChem CID105077186
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC NameN-methyl-1-quinolin-8-ylbut-3-yn-1-amine
SMILESC#CCC(NC)c1cccc2cccnc12
InChIInChI=1S/C14H14N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h1,4-5,7-10,13,15H,6H2,2H3
InChIKeyOJRLGHNZBAWSIN-UHFFFAOYSA-N
XLogP2.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-quinolin-8-ylpent-4-yn-1-amine
CID 105148985
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
2-(3-chlorophenyl)-N-methyl-1-quinolin-8-ylethanamine
CID 81210656
ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
2-(furan-3-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105177547
N-methyl-1-(2-methyl-3-pyridinyl)-1-quinolin-8-ylmethanamine
CID 105172443
2-(prop-2-ynylamino)-2-quinolin-8-ylacetonitrile
CID 63969362
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
N-methyl-2-(1-methylpyrazol-4-yl)-1-quinolin-8-ylethanamine
CID 105113637
1-(2-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 62233713

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-8-ylbut-3-yn-1-amine?
The IUPAC name of N-methyl-1-quinolin-8-ylbut-3-yn-1-amine (CID 105077186) is N-methyl-1-quinolin-8-ylbut-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-8-ylbut-3-yn-1-amine?
The canonical SMILES for N-methyl-1-quinolin-8-ylbut-3-yn-1-amine is C#CCC(NC)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-quinolin-8-ylbut-3-yn-1-amine?
The InChIKey is OJRLGHNZBAWSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-6-13(15-2)12-9-4-7-11-8-5-10-16-14(11)12/h1,4-5,7-10,13,15H,6H2,2H3.
What are the key properties of N-methyl-1-quinolin-8-ylbut-3-yn-1-amine?
N-methyl-1-quinolin-8-ylbut-3-yn-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-8-ylbut-3-yn-1-amine is sourced from PubChem (CID 105077186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).