N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine

C9H15N3O — CID 63590609

IUPACN'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)CCN)n1
InChIInChI=1S/C9H15N3O/c1-12(7-6-10)8-4-3-5-9(11-8)13-2/h3-5H,6-7,10H2,1-2H3
InChIKeyDUUOCUVRAHGUOI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.49
Rot. Bonds4

About N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine

N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine (PubChem CID 63590609) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
PubChem CID63590609
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
SMILESCOc1cccc(N(C)CCN)n1
InChIInChI=1S/C9H15N3O/c1-12(7-6-10)8-4-3-5-9(11-8)13-2/h3-5H,6-7,10H2,1-2H3
InChIKeyDUUOCUVRAHGUOI-UHFFFAOYSA-N
XLogP0.49
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine (CID 63590609) is N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine is COc1cccc(N(C)CCN)n1.
What is the InChIKey of N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
The InChIKey is DUUOCUVRAHGUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12(7-6-10)8-4-3-5-9(11-8)13-2/h3-5H,6-7,10H2,1-2H3.
What are the key properties of N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine?
N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-2-pyridinyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63590609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).