1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine

C14H23N3O — CID 103348628

IUPAC1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
SMILESCCN1CCCCC(N)C1c1cccc(OC)n1
InChIInChI=1S/C14H23N3O/c1-3-17-10-5-4-7-11(15)14(17)12-8-6-9-13(16-12)18-2/h6,8-9,11,14H,3-5,7,10,15H2,1-2H3
InChIKeyLZUJGNOYDOZDDC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.96
Rot. Bonds3

About 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine

1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine (PubChem CID 103348628) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine.

Molecular Properties

Compound Name1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
PubChem CID103348628
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
SMILESCCN1CCCCC(N)C1c1cccc(OC)n1
InChIInChI=1S/C14H23N3O/c1-3-17-10-5-4-7-11(15)14(17)12-8-6-9-13(16-12)18-2/h6,8-9,11,14H,3-5,7,10,15H2,1-2H3
InChIKeyLZUJGNOYDOZDDC-UHFFFAOYSA-N
XLogP1.96
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348631
[1-cyclopropyl-2-(6-methoxy-2-pyridinyl)azepan-3-yl]methanamine
CID 103348592
N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 103348585
1-ethyl-2-(3-fluoro-4-methoxyphenyl)azepan-3-amine
CID 65101028
[(1R,3S,9aS)-3-(6-methoxy-2-pyridinyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanol
CID 22297999
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine
CID 107125612
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
CID 64507040
1-ethyl-2-(3-fluoro-4-methoxyphenyl)piperidin-3-amine
CID 65101555

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The IUPAC name of 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine (CID 103348628) is 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine.
What is the SMILES notation for 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The canonical SMILES for 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine is CCN1CCCCC(N)C1c1cccc(OC)n1.
What is the InChIKey of 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
The InChIKey is LZUJGNOYDOZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-10-5-4-7-11(15)14(17)12-8-6-9-13(16-12)18-2/h6,8-9,11,14H,3-5,7,10,15H2,1-2H3.
What are the key properties of 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine?
1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine has a molecular weight of 249.36 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine is sourced from PubChem (CID 103348628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).