5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine

C14H20N4O — CID 114719509

IUPAC5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCCOCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C14H20N4O/c1-2-3-7-19-8-6-18-11-16-10-13(18)12-4-5-14(15)17-9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H2,15,17)
InChIKeyUPURBEHZEAKWGO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.34
Rot. Bonds7

About 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine

5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine (PubChem CID 114719509) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine
PubChem CID114719509
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine
SMILESCCCCOCCn1cncc1-c1ccc(N)nc1
InChIInChI=1S/C14H20N4O/c1-2-3-7-19-8-6-18-11-16-10-13(18)12-4-5-14(15)17-9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H2,15,17)
InChIKeyUPURBEHZEAKWGO-UHFFFAOYSA-N
XLogP2.34
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine (CID 114719509) is 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine is CCCCOCCn1cncc1-c1ccc(N)nc1.
What is the InChIKey of 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine?
The InChIKey is UPURBEHZEAKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-7-19-8-6-18-11-16-10-13(18)12-4-5-14(15)17-9-12/h4-5,9-11H,2-3,6-8H2,1H3,(H2,15,17).
What are the key properties of 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine?
5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-butoxyethyl)imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).