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

C16H21ClN2 — CID 114008239

IUPAC6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H21ClN2/c17-11-5-1-2-6-12-18-13-15-10-9-14-7-3-4-8-16(14)19-15/h3-4,7-10,18H,1-2,5-6,11-13H2
InChIKeyWOKCCDXZTLPGAG-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.12
Rot. Bonds8

About 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine

6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine (PubChem CID 114008239) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
PubChem CID114008239
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCc1ccc2ccccc2n1
InChIInChI=1S/C16H21ClN2/c17-11-5-1-2-6-12-18-13-15-10-9-14-7-3-4-8-16(14)19-15/h3-4,7-10,18H,1-2,5-6,11-13H2
InChIKeyWOKCCDXZTLPGAG-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-2-ylmethylamino)pentan-1-ol
CID 107302820
N-(quinolin-2-ylmethyl)hexan-1-amine
CID 60672947
4,4,4-trifluoro-N-(quinolin-2-ylmethyl)butan-1-amine
CID 79039070
2-(quinolin-2-ylmethylamino)ethanol;hydrochloride
CID 54612158
N-[5-(quinolin-2-ylmethylamino)pentyl]propane-2-sulfonamide
CID 70839107
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
2-[3-(quinolin-2-ylmethylamino)propoxy]ethanol
CID 103992599
N-[(2-chlorophenyl)methyl]-1-quinolin-2-ylmethanamine
CID 28774820
2-propan-2-yloxy-N-(quinolin-2-ylmethyl)ethanamine
CID 113429898
2-methyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 28774774
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
N-[(2-methylpyrimidin-4-yl)methyl]-1-quinolin-2-ylmethanamine
CID 61016402

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine (CID 114008239) is 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine is ClCCCCCCNCc1ccc2ccccc2n1.
What is the InChIKey of 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine?
The InChIKey is WOKCCDXZTLPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c17-11-5-1-2-6-12-18-13-15-10-9-14-7-3-4-8-16(14)19-15/h3-4,7-10,18H,1-2,5-6,11-13H2.
What are the key properties of 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine?
6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine has a molecular weight of 276.81 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(quinolin-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 114008239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).