(4-ethoxy-2-imino-1-pyridinyl)methanamine

C8H13N3O — CID 168894031

IUPAC(4-ethoxy-2-imino-1-pyridinyl)methanamine
SMILES[H]/N=c1\cc(OCC)ccn1CN
InChIInChI=1S/C8H13N3O/c1-2-12-7-3-4-11(6-9)8(10)5-7/h3-5,10H,2,6,9H2,1H3/b10-8+
InChIKeyXAGBDQARTXOHCJ-CSKARUKUSA-N
MW167.21 g/mol
LogP0.28
Rot. Bonds3

About (4-ethoxy-2-imino-1-pyridinyl)methanamine

(4-ethoxy-2-imino-1-pyridinyl)methanamine (PubChem CID 168894031) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (4-ethoxy-2-imino-1-pyridinyl)methanamine.

Molecular Properties

Compound Name(4-ethoxy-2-imino-1-pyridinyl)methanamine
PubChem CID168894031
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(4-ethoxy-2-imino-1-pyridinyl)methanamine
SMILES[H]/N=c1\cc(OCC)ccn1CN
InChIInChI=1S/C8H13N3O/c1-2-12-7-3-4-11(6-9)8(10)5-7/h3-5,10H,2,6,9H2,1H3/b10-8+
InChIKeyXAGBDQARTXOHCJ-CSKARUKUSA-N
XLogP0.28
TPSA64.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-1-methylpyridin-2-imine
CID 155448001
1-Methyl-4-(oxiran-2-ylmethoxy)pyridin-2-imine
CID 163480274
5-Methoxy-1-methylpyridin-2-imine
CID 166787051
(4-Ethoxy-2-imino-1-pyridinyl)methanamine;4-methylheptane
CID 168894030
1-Methanimidoyl-4-methoxypyridin-2-imine
CID 168893761

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-imino-1-pyridinyl)methanamine?
The IUPAC name of (4-ethoxy-2-imino-1-pyridinyl)methanamine (CID 168894031) is (4-ethoxy-2-imino-1-pyridinyl)methanamine.
What is the SMILES notation for (4-ethoxy-2-imino-1-pyridinyl)methanamine?
The canonical SMILES for (4-ethoxy-2-imino-1-pyridinyl)methanamine is [H]/N=c1\cc(OCC)ccn1CN.
What is the InChIKey of (4-ethoxy-2-imino-1-pyridinyl)methanamine?
The InChIKey is XAGBDQARTXOHCJ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-12-7-3-4-11(6-9)8(10)5-7/h3-5,10H,2,6,9H2,1H3/b10-8+.
What are the key properties of (4-ethoxy-2-imino-1-pyridinyl)methanamine?
(4-ethoxy-2-imino-1-pyridinyl)methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-imino-1-pyridinyl)methanamine is sourced from PubChem (CID 168894031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).