4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen

C8H13N3 — CID 177218070

IUPAC4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen
SMILES[H]/N=C/c1nccc(CC)c1N.[H][H]
InChIInChI=1S/C8H11N3.H2/c1-2-6-3-4-11-7(5-9)8(6)10;/h3-5,9H,2,10H2,1H3;1H/b9-5+;
InChIKeyIHQRYRFUUOXMJT-SZKNIZGXSA-N
MW151.21 g/mol
LogP1.47
Rot. Bonds2

About 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen

4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen (PubChem CID 177218070) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen.

Molecular Properties

Compound Name4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen
PubChem CID177218070
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen
SMILES[H]/N=C/c1nccc(CC)c1N.[H][H]
InChIInChI=1S/C8H11N3.H2/c1-2-6-3-4-11-7(5-9)8(6)10;/h3-5,9H,2,10H2,1H3;1H/b9-5+;
InChIKeyIHQRYRFUUOXMJT-SZKNIZGXSA-N
XLogP1.47
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-methanimidoylpyridin-3-amine
CID 148963881
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
CID 143716531
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
(2-ethylphenyl)methanimine
CID 58827978
3-ethyl-N-methylpyridin-2-amine;molecular hydrogen
CID 177195094
(3-amino-4-methanimidoyl-2-methylphenyl)methanol
CID 166097156
2,6-diethylaniline;iron(2+)
CID 175873065
2,6-diethylaniline;propane
CID 174429495
ethylbenzene;pyridin-2-ylmethanimine
CID 174801514
1-[4-[4-(3-amino-4-methanimidoylphenoxy)-2-pyridinyl]-2-ethylphenyl]ethanone
CID 174251684
2-ethyl-6-prop-2-enylaniline
CID 11975891
2,3,6-triethylaniline
CID 21412862

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen?
The IUPAC name of 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen (CID 177218070) is 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen.
What is the SMILES notation for 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen?
The canonical SMILES for 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen is [H]/N=C/c1nccc(CC)c1N.[H][H].
What is the InChIKey of 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen?
The InChIKey is IHQRYRFUUOXMJT-SZKNIZGXSA-N. The full InChI is InChI=1S/C8H11N3.H2/c1-2-6-3-4-11-7(5-9)8(6)10;/h3-5,9H,2,10H2,1H3;1H/b9-5+;.
What are the key properties of 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen?
4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen has a molecular weight of 151.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methanimidoylpyridin-3-amine;molecular hydrogen is sourced from PubChem (CID 177218070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).