N-propyl-1-quinolin-2-ylbut-3-yn-1-amine

C16H18N2 — CID 63222640

IUPACN-propyl-1-quinolin-2-ylbut-3-yn-1-amine
SMILESC#CCC(NCCC)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-7-15(17-12-4-2)16-11-10-13-8-5-6-9-14(13)18-16/h1,5-6,8-11,15,17H,4,7,12H2,2H3
InChIKeyYBNIBQMAKPGNMM-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.30
Rot. Bonds5

About N-propyl-1-quinolin-2-ylbut-3-yn-1-amine

N-propyl-1-quinolin-2-ylbut-3-yn-1-amine (PubChem CID 63222640) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-propyl-1-quinolin-2-ylbut-3-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-quinolin-2-ylbut-3-yn-1-amine
PubChem CID63222640
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-propyl-1-quinolin-2-ylbut-3-yn-1-amine
SMILESC#CCC(NCCC)c1ccc2ccccc2n1
InChIInChI=1S/C16H18N2/c1-3-7-15(17-12-4-2)16-11-10-13-8-5-6-9-14(13)18-16/h1,5-6,8-11,15,17H,4,7,12H2,2H3
InChIKeyYBNIBQMAKPGNMM-UHFFFAOYSA-N
XLogP3.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.30
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-propyl-1-quinolin-2-ylpent-3-yn-1-amine
CID 63222561
N-methyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222554
N-(2-phenyl-1-quinolin-2-ylethyl)propan-1-amine
CID 63222770
1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
1-quinolin-2-ylpent-3-ynylhydrazine
CID 105218650
ethane;2-propan-2-ylquinoline
CID 142538504
methane;2-propan-2-ylquinoline
CID 161334581
(3-methyl-1-quinolin-2-ylhexyl)hydrazine
CID 105218682
1-(3-bromophenyl)-N-propylbut-3-yn-1-amine
CID 62235331
1-[2-(difluoromethoxy)phenyl]-N-propylbut-3-yn-1-amine
CID 114977832
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
1-(5-chloro-2-methylphenyl)-N-propylbut-3-yn-1-amine
CID 114977026

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-quinolin-2-ylbut-3-yn-1-amine?
The IUPAC name of N-propyl-1-quinolin-2-ylbut-3-yn-1-amine (CID 63222640) is N-propyl-1-quinolin-2-ylbut-3-yn-1-amine.
What is the SMILES notation for N-propyl-1-quinolin-2-ylbut-3-yn-1-amine?
The canonical SMILES for N-propyl-1-quinolin-2-ylbut-3-yn-1-amine is C#CCC(NCCC)c1ccc2ccccc2n1.
What is the InChIKey of N-propyl-1-quinolin-2-ylbut-3-yn-1-amine?
The InChIKey is YBNIBQMAKPGNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-7-15(17-12-4-2)16-11-10-13-8-5-6-9-14(13)18-16/h1,5-6,8-11,15,17H,4,7,12H2,2H3.
What are the key properties of N-propyl-1-quinolin-2-ylbut-3-yn-1-amine?
N-propyl-1-quinolin-2-ylbut-3-yn-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-quinolin-2-ylbut-3-yn-1-amine is sourced from PubChem (CID 63222640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).