N-(quinolin-6-ylmethyl)prop-2-yn-1-amine

C13H12N2 — CID 28776188

IUPACN-(quinolin-6-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1ccc2ncccc2c1
InChIInChI=1S/C13H12N2/c1-2-7-14-10-11-5-6-13-12(9-11)4-3-8-15-13/h1,3-6,8-9,14H,7,10H2
InChIKeyNGMHTTAAKSTDFZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.96
Rot. Bonds3

About N-(quinolin-6-ylmethyl)prop-2-yn-1-amine

N-(quinolin-6-ylmethyl)prop-2-yn-1-amine (PubChem CID 28776188) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(quinolin-6-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-(quinolin-6-ylmethyl)prop-2-yn-1-amine
PubChem CID28776188
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC NameN-(quinolin-6-ylmethyl)prop-2-yn-1-amine
SMILESC#CCNCc1ccc2ncccc2c1
InChIInChI=1S/C13H12N2/c1-2-7-14-10-11-5-6-13-12(9-11)4-3-8-15-13/h1,3-6,8-9,14H,7,10H2
InChIKeyNGMHTTAAKSTDFZ-UHFFFAOYSA-N
XLogP1.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 143817752
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
2-methyl-3-methylsulfanyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63966499
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
(3S)-3,5-dimethyl-N-(quinolin-6-ylmethyl)hex-1-yn-3-amine
CID 45104223
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-6-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-(quinolin-6-ylmethyl)prop-2-yn-1-amine (CID 28776188) is N-(quinolin-6-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-(quinolin-6-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-(quinolin-6-ylmethyl)prop-2-yn-1-amine is C#CCNCc1ccc2ncccc2c1.
What is the InChIKey of N-(quinolin-6-ylmethyl)prop-2-yn-1-amine?
The InChIKey is NGMHTTAAKSTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-7-14-10-11-5-6-13-12(9-11)4-3-8-15-13/h1,3-6,8-9,14H,7,10H2.
What are the key properties of N-(quinolin-6-ylmethyl)prop-2-yn-1-amine?
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine has a molecular weight of 196.25 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-6-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 28776188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).