N-methyl-1-quinolin-8-ylpent-4-yn-1-amine

C15H16N2 — CID 105148985

IUPACN-methyl-1-quinolin-8-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1cccc2cccnc12
InChIInChI=1S/C15H16N2/c1-3-4-10-14(16-2)13-9-5-7-12-8-6-11-17-15(12)13/h1,5-9,11,14,16H,4,10H2,2H3
InChIKeyTYZKMSWHSJWOLI-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.91
Rot. Bonds4

About N-methyl-1-quinolin-8-ylpent-4-yn-1-amine

N-methyl-1-quinolin-8-ylpent-4-yn-1-amine (PubChem CID 105148985) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is N-methyl-1-quinolin-8-ylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-quinolin-8-ylpent-4-yn-1-amine
PubChem CID105148985
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC NameN-methyl-1-quinolin-8-ylpent-4-yn-1-amine
SMILESC#CCCC(NC)c1cccc2cccnc12
InChIInChI=1S/C15H16N2/c1-3-4-10-14(16-2)13-9-5-7-12-8-6-11-17-15(12)13/h1,5-9,11,14,16H,4,10H2,2H3
InChIKeyTYZKMSWHSJWOLI-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.91
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-ylbut-3-yn-1-amine
CID 105077186
N-methyl-1-quinolin-5-ylpent-4-yn-1-amine
CID 105149256
N-methyl-3-propoxy-1-quinolin-8-ylpropan-1-amine
CID 105172455
3,3,3-trifluoro-N-methyl-1-quinolin-8-ylpropan-1-amine
CID 81231735
1-quinolin-8-ylhex-4-ynylhydrazine
CID 105334997
N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
CID 103029868
2-(propan-2-ylamino)-2-quinolin-8-ylethanol
CID 63968321
N-methyl-1-(2-methylphenyl)pent-4-yn-1-amine
CID 63657700
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-quinolin-8-ylpent-4-yn-1-amine?
The IUPAC name of N-methyl-1-quinolin-8-ylpent-4-yn-1-amine (CID 105148985) is N-methyl-1-quinolin-8-ylpent-4-yn-1-amine.
What is the SMILES notation for N-methyl-1-quinolin-8-ylpent-4-yn-1-amine?
The canonical SMILES for N-methyl-1-quinolin-8-ylpent-4-yn-1-amine is C#CCCC(NC)c1cccc2cccnc12.
What is the InChIKey of N-methyl-1-quinolin-8-ylpent-4-yn-1-amine?
The InChIKey is TYZKMSWHSJWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-4-10-14(16-2)13-9-5-7-12-8-6-11-17-15(12)13/h1,5-9,11,14,16H,4,10H2,2H3.
What are the key properties of N-methyl-1-quinolin-8-ylpent-4-yn-1-amine?
N-methyl-1-quinolin-8-ylpent-4-yn-1-amine has a molecular weight of 224.31 g/mol, XLogP of 2.91, 4 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-ylpent-4-yn-1-amine is sourced from PubChem (CID 105148985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).