N-(quinolin-2-ylmethyl)hexan-1-amine

C16H22N2 — CID 60672947

IUPACN-(quinolin-2-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2/c1-2-3-4-7-12-17-13-15-11-10-14-8-5-6-9-16(14)18-15/h5-6,8-11,17H,2-4,7,12-13H2,1H3
InChIKeyQYHVYULBNISUMC-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.90
Rot. Bonds7

About N-(quinolin-2-ylmethyl)hexan-1-amine

N-(quinolin-2-ylmethyl)hexan-1-amine (PubChem CID 60672947) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(quinolin-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-(quinolin-2-ylmethyl)hexan-1-amine
PubChem CID60672947
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN-(quinolin-2-ylmethyl)hexan-1-amine
SMILESCCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H22N2/c1-2-3-4-7-12-17-13-15-11-10-14-8-5-6-9-16(14)18-15/h5-6,8-11,17H,2-4,7,12-13H2,1H3
InChIKeyQYHVYULBNISUMC-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
CID 114008239
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
N-dodecylquinolin-2-amine
CID 160510159
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
N-[(6-bromo-2-pyridinyl)methyl]hexan-1-amine
CID 91610818
N-[[9-(butylaminomethyl)-1,10-phenanthrolin-2-yl]methyl]butan-1-amine
CID 15510833
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-2-ylmethyl)hexan-1-amine?
The IUPAC name of N-(quinolin-2-ylmethyl)hexan-1-amine (CID 60672947) is N-(quinolin-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-(quinolin-2-ylmethyl)hexan-1-amine?
The canonical SMILES for N-(quinolin-2-ylmethyl)hexan-1-amine is CCCCCCNCc1ccc2ccccc2n1.
What is the InChIKey of N-(quinolin-2-ylmethyl)hexan-1-amine?
The InChIKey is QYHVYULBNISUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-2-3-4-7-12-17-13-15-11-10-14-8-5-6-9-16(14)18-15/h5-6,8-11,17H,2-4,7,12-13H2,1H3.
What are the key properties of N-(quinolin-2-ylmethyl)hexan-1-amine?
N-(quinolin-2-ylmethyl)hexan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 60672947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).