4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine

C14H23N3O — CID 79607063

IUPAC4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCOCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3O/c1-12(4-3-6-16-8-9-18-2)10-13-5-7-17-14(15)11-13/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H2,15,17)
InChIKeyWORUIOHWGLQQPQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds8

About 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine

4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine (PubChem CID 79607063) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
PubChem CID79607063
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
SMILESCOCCNCCC=C(C)Cc1ccnc(N)c1
InChIInChI=1S/C14H23N3O/c1-12(4-3-6-16-8-9-18-2)10-13-5-7-17-14(15)11-13/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H2,15,17)
InChIKeyWORUIOHWGLQQPQ-UHFFFAOYSA-N
XLogP1.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The IUPAC name of 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine (CID 79607063) is 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine.
What is the SMILES notation for 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The canonical SMILES for 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine is COCCNCCC=C(C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
The InChIKey is WORUIOHWGLQQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-12(4-3-6-16-8-9-18-2)10-13-5-7-17-14(15)11-13/h4-5,7,11,16H,3,6,8-10H2,1-2H3,(H2,15,17).
What are the key properties of 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine?
4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine is sourced from PubChem (CID 79607063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).