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

C17H20N2 — CID 63222561

IUPACN-propyl-1-quinolin-2-ylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2/c1-3-5-9-16(18-13-4-2)17-12-11-14-8-6-7-10-15(14)19-17/h6-8,10-12,16,18H,4,9,13H2,1-2H3
InChIKeyUBVPGDWNYMNRBV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.69
Rot. Bonds5

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

N-propyl-1-quinolin-2-ylpent-3-yn-1-amine (PubChem CID 63222561) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-propyl-1-quinolin-2-ylpent-3-yn-1-amine.

Molecular Properties

Compound NameN-propyl-1-quinolin-2-ylpent-3-yn-1-amine
PubChem CID63222561
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-propyl-1-quinolin-2-ylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc2ccccc2n1
InChIInChI=1S/C17H20N2/c1-3-5-9-16(18-13-4-2)17-12-11-14-8-6-7-10-15(14)19-17/h6-8,10-12,16,18H,4,9,13H2,1-2H3
InChIKeyUBVPGDWNYMNRBV-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.69
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-ylbut-3-yn-1-amine
CID 63222640
1-quinolin-2-ylpent-3-ynylhydrazine
CID 105218650
N-(2-phenyl-1-quinolin-2-ylethyl)propan-1-amine
CID 63222770
N-methyl-1-quinolin-2-ylhex-4-yn-1-amine
CID 104805621
1-(6-methoxypyridazin-3-yl)-N-propylpent-3-yn-1-amine
CID 103374699
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-methyl-1-quinolin-2-ylbut-3-yn-1-amine
CID 63222554
(3-methyl-1-quinolin-2-ylhexyl)hydrazine
CID 105218682
1-(1-phenylpyrazol-4-yl)-N-propylpent-3-yn-1-amine
CID 105112397
N-propyl-1-(2,4,6-trifluorophenyl)pent-3-yn-1-amine
CID 115819841
1-(3-bromo-2-chlorophenyl)-N-propylpent-3-yn-1-amine
CID 115819947

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-quinolin-2-ylpent-3-yn-1-amine?
The IUPAC name of N-propyl-1-quinolin-2-ylpent-3-yn-1-amine (CID 63222561) is N-propyl-1-quinolin-2-ylpent-3-yn-1-amine.
What is the SMILES notation for N-propyl-1-quinolin-2-ylpent-3-yn-1-amine?
The canonical SMILES for N-propyl-1-quinolin-2-ylpent-3-yn-1-amine is CC#CCC(NCCC)c1ccc2ccccc2n1.
What is the InChIKey of N-propyl-1-quinolin-2-ylpent-3-yn-1-amine?
The InChIKey is UBVPGDWNYMNRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-5-9-16(18-13-4-2)17-12-11-14-8-6-7-10-15(14)19-17/h6-8,10-12,16,18H,4,9,13H2,1-2H3.
What are the key properties of N-propyl-1-quinolin-2-ylpent-3-yn-1-amine?
N-propyl-1-quinolin-2-ylpent-3-yn-1-amine has a molecular weight of 252.36 g/mol, XLogP of 3.69, 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-ylpent-3-yn-1-amine is sourced from PubChem (CID 63222561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).