N-(6-chlorohexyl)-5-methoxypyridin-2-amine

C12H19ClN2O — CID 107846199

IUPACN-(6-chlorohexyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCCCCCCl)nc1
InChIInChI=1S/C12H19ClN2O/c1-16-11-6-7-12(15-10-11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyCGIQQQCVCAQLPZ-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.30
Rot. Bonds8

About N-(6-chlorohexyl)-5-methoxypyridin-2-amine

N-(6-chlorohexyl)-5-methoxypyridin-2-amine (PubChem CID 107846199) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(6-chlorohexyl)-5-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-(6-chlorohexyl)-5-methoxypyridin-2-amine
PubChem CID107846199
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(6-chlorohexyl)-5-methoxypyridin-2-amine
SMILESCOc1ccc(NCCCCCCCl)nc1
InChIInChI=1S/C12H19ClN2O/c1-16-11-6-7-12(15-10-11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyCGIQQQCVCAQLPZ-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.30
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

N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
5-methoxy-N-propylpyridin-2-amine
CID 106503925
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125
N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
N-cyclopropyl-N'-(5-methoxy-2-pyridinyl)propane-1,3-diamine
CID 106504375
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-methoxypyridin-2-amine
CID 104696655
N-(4-chlorobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106845031
N-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 143011658

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-5-methoxypyridin-2-amine?
The IUPAC name of N-(6-chlorohexyl)-5-methoxypyridin-2-amine (CID 107846199) is N-(6-chlorohexyl)-5-methoxypyridin-2-amine.
What is the SMILES notation for N-(6-chlorohexyl)-5-methoxypyridin-2-amine?
The canonical SMILES for N-(6-chlorohexyl)-5-methoxypyridin-2-amine is COc1ccc(NCCCCCCCl)nc1.
What is the InChIKey of N-(6-chlorohexyl)-5-methoxypyridin-2-amine?
The InChIKey is CGIQQQCVCAQLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-16-11-6-7-12(15-10-11)14-9-5-3-2-4-8-13/h6-7,10H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of N-(6-chlorohexyl)-5-methoxypyridin-2-amine?
N-(6-chlorohexyl)-5-methoxypyridin-2-amine has a molecular weight of 242.75 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-5-methoxypyridin-2-amine is sourced from PubChem (CID 107846199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).