1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine

C13H22N2O — CID 62291660

IUPAC1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
SMILESCCCCCCOc1cccc(CNC)n1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-10-16-13-9-7-8-12(15-13)11-14-2/h7-9,14H,3-6,10-11H2,1-2H3
InChIKeyANBWHWKGTOVMHH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.76
Rot. Bonds8

About 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine

1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine (PubChem CID 62291660) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
PubChem CID62291660
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
SMILESCCCCCCOc1cccc(CNC)n1
InChIInChI=1S/C13H22N2O/c1-3-4-5-6-10-16-13-9-7-8-12(15-13)11-14-2/h7-9,14H,3-6,10-11H2,1-2H3
InChIKeyANBWHWKGTOVMHH-UHFFFAOYSA-N
XLogP2.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-hexoxy-2-pyridinyl)methyl]-2-methylpropan-1-amine
CID 55058295
1-[6-(2-methoxyethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292157
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-methyl-1-[6-(3-methylbut-3-enoxy)-2-pyridinyl]methanamine
CID 114470605
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967
2,6-dibutoxypyridine
CID 67437244
2-methyl-N-[(6-propoxy-2-pyridinyl)methyl]propan-2-amine
CID 62292233
2-methyl-6-pentoxypyridine
CID 165358855
1-(3-chloro-6-octoxy-2-pyridinyl)-N-methylmethanamine
CID 55194459

Frequently Asked Questions

What is the IUPAC name of 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine (CID 62291660) is 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine is CCCCCCOc1cccc(CNC)n1.
What is the InChIKey of 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine?
The InChIKey is ANBWHWKGTOVMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-4-5-6-10-16-13-9-7-8-12(15-13)11-14-2/h7-9,14H,3-6,10-11H2,1-2H3.
What are the key properties of 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine?
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 62291660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).