N-(quinolin-4-ylmethyl)hex-5-yn-1-amine

C16H18N2 — CID 113256049

IUPACN-(quinolin-4-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1ccnc2ccccc12
InChIInChI=1S/C16H18N2/c1-2-3-4-7-11-17-13-14-10-12-18-16-9-6-5-8-15(14)16/h1,5-6,8-10,12,17H,3-4,7,11,13H2
InChIKeySJXHXUAOPIUGMW-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.13
Rot. Bonds6

About N-(quinolin-4-ylmethyl)hex-5-yn-1-amine

N-(quinolin-4-ylmethyl)hex-5-yn-1-amine (PubChem CID 113256049) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(quinolin-4-ylmethyl)hex-5-yn-1-amine.

Molecular Properties

Compound NameN-(quinolin-4-ylmethyl)hex-5-yn-1-amine
PubChem CID113256049
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC NameN-(quinolin-4-ylmethyl)hex-5-yn-1-amine
SMILESC#CCCCCNCc1ccnc2ccccc12
InChIInChI=1S/C16H18N2/c1-2-3-4-7-11-17-13-14-10-12-18-16-9-6-5-8-15(14)16/h1,5-6,8-10,12,17H,3-4,7,11,13H2
InChIKeySJXHXUAOPIUGMW-UHFFFAOYSA-N
XLogP3.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.13
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'}

Analyze N-(quinolin-4-ylmethyl)hex-5-yn-1-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

5,5,5-trifluoro-N-(quinolin-4-ylmethyl)pentan-1-amine
CID 115491467
3-(2-chloroethoxy)-N-(quinolin-4-ylmethyl)propan-1-amine
CID 114171251
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
2-pyridin-4-yl-N-(quinolin-4-ylmethyl)ethanamine
CID 63867946
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
N'-(2-aminoethyl)-N'-[2-(quinolin-4-ylmethylamino)ethyl]ethane-1,2-diamine
CID 90798639
1-[(quinolin-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 63851922
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
N-[(2,3-dichlorophenyl)methyl]hex-5-yn-1-amine
CID 115694161

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-4-ylmethyl)hex-5-yn-1-amine?
The IUPAC name of N-(quinolin-4-ylmethyl)hex-5-yn-1-amine (CID 113256049) is N-(quinolin-4-ylmethyl)hex-5-yn-1-amine.
What is the SMILES notation for N-(quinolin-4-ylmethyl)hex-5-yn-1-amine?
The canonical SMILES for N-(quinolin-4-ylmethyl)hex-5-yn-1-amine is C#CCCCCNCc1ccnc2ccccc12.
What is the InChIKey of N-(quinolin-4-ylmethyl)hex-5-yn-1-amine?
The InChIKey is SJXHXUAOPIUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-3-4-7-11-17-13-14-10-12-18-16-9-6-5-8-15(14)16/h1,5-6,8-10,12,17H,3-4,7,11,13H2.
What are the key properties of N-(quinolin-4-ylmethyl)hex-5-yn-1-amine?
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-4-ylmethyl)hex-5-yn-1-amine is sourced from PubChem (CID 113256049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).