cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine

C18H22N2 — CID 143817752

IUPACcyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCc1ccc2ncccc2c1.C1CCC1
InChIInChI=1S/C14H14N2.C4H8/c1-3-11(2)16-10-12-6-7-14-13(9-12)5-4-8-15-14;1-2-4-3-1/h1,4-9,11,16H,10H2,2H3;1-4H2
InChIKeyQWEDDPJFVVEEBD-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.91
Rot. Bonds3

About cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine

cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine (PubChem CID 143817752) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine.

Molecular Properties

Compound Namecyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
PubChem CID143817752
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Namecyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine
SMILESC#CC(C)NCc1ccc2ncccc2c1.C1CCC1
InChIInChI=1S/C14H14N2.C4H8/c1-3-11(2)16-10-12-6-7-14-13(9-12)5-4-8-15-14;1-2-4-3-1/h1,4-9,11,16H,10H2,2H3;1-4H2
InChIKeyQWEDDPJFVVEEBD-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-cycloheptyl-N-(quinolin-6-ylmethyl)ethanamine
CID 81388844
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
(1S)-1-(4-bromophenyl)-N-(quinolin-6-ylmethyl)ethanamine
CID 81356181
4-methoxy-N-(quinolin-6-ylmethyl)butan-2-amine
CID 62733913
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
(3S)-3,5-dimethyl-N-(quinolin-6-ylmethyl)hex-1-yn-3-amine
CID 45104223
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425
(2S)-2-cyclobutyl-N-(quinolin-6-ylmethyl)but-3-yn-2-amine
CID 45104224
2,2-dimethyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 61222294
N,N-dimethyl-1-[(quinolin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 105414996
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
N-tert-butyl-2-(quinolin-6-ylmethylamino)propanamide
CID 115595956

Frequently Asked Questions

What is the IUPAC name of cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine?
The IUPAC name of cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine (CID 143817752) is cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine.
What is the SMILES notation for cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine?
The canonical SMILES for cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine is C#CC(C)NCc1ccc2ncccc2c1.C1CCC1.
What is the InChIKey of cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine?
The InChIKey is QWEDDPJFVVEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2.C4H8/c1-3-11(2)16-10-12-6-7-14-13(9-12)5-4-8-15-14;1-2-4-3-1/h1,4-9,11,16H,10H2,2H3;1-4H2.
What are the key properties of cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine?
cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;N-(quinolin-6-ylmethyl)but-3-yn-2-amine is sourced from PubChem (CID 143817752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).