4-(2-amino-4-ethoxybutyl)pyridin-2-amine

C11H19N3O — CID 106815067

IUPAC4-(2-amino-4-ethoxybutyl)pyridin-2-amine
SMILESCCOCCC(N)Cc1ccnc(N)c1
InChIInChI=1S/C11H19N3O/c1-2-15-6-4-10(12)7-9-3-5-14-11(13)8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H2,13,14)
InChIKeyOGDOOPXKGYYYBN-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.96
Rot. Bonds6

About 4-(2-amino-4-ethoxybutyl)pyridin-2-amine

4-(2-amino-4-ethoxybutyl)pyridin-2-amine (PubChem CID 106815067) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-amino-4-ethoxybutyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(2-amino-4-ethoxybutyl)pyridin-2-amine
PubChem CID106815067
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(2-amino-4-ethoxybutyl)pyridin-2-amine
SMILESCCOCCC(N)Cc1ccnc(N)c1
InChIInChI=1S/C11H19N3O/c1-2-15-6-4-10(12)7-9-3-5-14-11(13)8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H2,13,14)
InChIKeyOGDOOPXKGYYYBN-UHFFFAOYSA-N
XLogP0.96
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 106815088
4-(3-ethoxy-2-hydrazinylpropyl)pyridin-2-amine
CID 105235296
4-ethoxy-1-pyridin-3-ylbutan-2-amine
CID 112688280
4-ethoxy-1-(furan-3-yl)butan-2-amine
CID 105177800
4-(2-amino-3-ethoxy-3-ethylpentyl)pyridin-2-amine
CID 116759749
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
4-(2-amino-3-ethoxy-3-methylpentyl)pyridin-2-amine
CID 116758668
4-ethoxy-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169291
4-(2-amino-3-methoxybutyl)pyridin-2-amine
CID 79615950
1-(2-amino-4-pyridinyl)-5-methoxypentan-2-ol
CID 65091967
ethane;4-ethylpyridin-2-amine
CID 144736585
4-[3-ethoxy-2-(propylamino)butyl]pyridin-2-amine
CID 64533806

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-ethoxybutyl)pyridin-2-amine?
The IUPAC name of 4-(2-amino-4-ethoxybutyl)pyridin-2-amine (CID 106815067) is 4-(2-amino-4-ethoxybutyl)pyridin-2-amine.
What is the SMILES notation for 4-(2-amino-4-ethoxybutyl)pyridin-2-amine?
The canonical SMILES for 4-(2-amino-4-ethoxybutyl)pyridin-2-amine is CCOCCC(N)Cc1ccnc(N)c1.
What is the InChIKey of 4-(2-amino-4-ethoxybutyl)pyridin-2-amine?
The InChIKey is OGDOOPXKGYYYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-15-6-4-10(12)7-9-3-5-14-11(13)8-9/h3,5,8,10H,2,4,6-7,12H2,1H3,(H2,13,14).
What are the key properties of 4-(2-amino-4-ethoxybutyl)pyridin-2-amine?
4-(2-amino-4-ethoxybutyl)pyridin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-ethoxybutyl)pyridin-2-amine is sourced from PubChem (CID 106815067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).