N-(6-chlorohexyl)-3-ethoxypyridin-2-amine

C13H21ClN2O — CID 107846423

IUPACN-(6-chlorohexyl)-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCCCCCCCl
InChIInChI=1S/C13H21ClN2O/c1-2-17-12-8-7-11-16-13(12)15-10-6-4-3-5-9-14/h7-8,11H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyLCORMAOHBHDJSH-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.69
Rot. Bonds9

About N-(6-chlorohexyl)-3-ethoxypyridin-2-amine

N-(6-chlorohexyl)-3-ethoxypyridin-2-amine (PubChem CID 107846423) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is N-(6-chlorohexyl)-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-3-ethoxypyridin-2-amine
PubChem CID107846423
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC NameN-(6-chlorohexyl)-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCCCCCCCl
InChIInChI=1S/C13H21ClN2O/c1-2-17-12-8-7-11-16-13(12)15-10-6-4-3-5-9-14/h7-8,11H,2-6,9-10H2,1H3,(H,15,16)
InChIKeyLCORMAOHBHDJSH-UHFFFAOYSA-N
XLogP3.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052
N-(4-chloro-2,2-dimethylbutyl)-3-ethoxypyridin-2-amine
CID 106141771
N'-(3-methoxy-2-pyridinyl)hexane-1,6-diamine
CID 107844863
6-[(3-methoxy-2-pyridinyl)amino]hexan-1-ol
CID 107848736
3-bromo-N-(4-chlorobutyl)pyridin-2-amine
CID 86240809
N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
CID 106252954
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
N-pent-4-ynyl-3-propoxypyridin-2-amine
CID 106222583
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
3-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430205
5-[(3-propoxy-2-pyridinyl)amino]pentan-2-ol
CID 106129002

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-3-ethoxypyridin-2-amine?
The IUPAC name of N-(6-chlorohexyl)-3-ethoxypyridin-2-amine (CID 107846423) is N-(6-chlorohexyl)-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-(6-chlorohexyl)-3-ethoxypyridin-2-amine?
The canonical SMILES for N-(6-chlorohexyl)-3-ethoxypyridin-2-amine is CCOc1cccnc1NCCCCCCCl.
What is the InChIKey of N-(6-chlorohexyl)-3-ethoxypyridin-2-amine?
The InChIKey is LCORMAOHBHDJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-2-17-12-8-7-11-16-13(12)15-10-6-4-3-5-9-14/h7-8,11H,2-6,9-10H2,1H3,(H,15,16).
What are the key properties of N-(6-chlorohexyl)-3-ethoxypyridin-2-amine?
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine has a molecular weight of 256.78 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-3-ethoxypyridin-2-amine is sourced from PubChem (CID 107846423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).