2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine

C15H25N3O — CID 114937183

IUPAC2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCCCC2C)cn1
InChIInChI=1S/C15H25N3O/c1-12-6-4-3-5-9-18(12)14(10-16)13-7-8-15(19-2)17-11-13/h7-8,11-12,14H,3-6,9-10,16H2,1-2H3
InChIKeyQLGPEXOTNMPROI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.35
Rot. Bonds4

About 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine

2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine (PubChem CID 114937183) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
PubChem CID114937183
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine
SMILESCOc1ccc(C(CN)N2CCCCCC2C)cn1
InChIInChI=1S/C15H25N3O/c1-12-6-4-3-5-9-18(12)14(10-16)13-7-8-15(19-2)17-11-13/h7-8,11-12,14H,3-6,9-10,16H2,1-2H3
InChIKeyQLGPEXOTNMPROI-UHFFFAOYSA-N
XLogP2.35
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine (CID 114937183) is 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine is COc1ccc(C(CN)N2CCCCCC2C)cn1.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine?
The InChIKey is QLGPEXOTNMPROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-6-4-3-5-9-18(12)14(10-16)13-7-8-15(19-2)17-11-13/h7-8,11-12,14H,3-6,9-10,16H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine?
2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-2-(2-methylazepan-1-yl)ethanamine is sourced from PubChem (CID 114937183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).