N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine

C14H20N4O — CID 106575856

IUPACN-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
SMILESCCOCCCn1ccnc1Nc1cccnc1C
InChIInChI=1S/C14H20N4O/c1-3-19-11-5-9-18-10-8-16-14(18)17-13-6-4-7-15-12(13)2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17)
InChIKeyUBHDDNLSGOCENP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.76
Rot. Bonds7

About N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine

N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine (PubChem CID 106575856) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
PubChem CID106575856
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine
SMILESCCOCCCn1ccnc1Nc1cccnc1C
InChIInChI=1S/C14H20N4O/c1-3-19-11-5-9-18-10-8-16-14(18)17-13-6-4-7-15-12(13)2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17)
InChIKeyUBHDDNLSGOCENP-UHFFFAOYSA-N
XLogP2.76
TPSA51.97 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 ≤ 52.76
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 N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine?
The IUPAC name of N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine (CID 106575856) is N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine.
What is the SMILES notation for N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine?
The canonical SMILES for N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine is CCOCCCn1ccnc1Nc1cccnc1C.
What is the InChIKey of N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine?
The InChIKey is UBHDDNLSGOCENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-19-11-5-9-18-10-8-16-14(18)17-13-6-4-7-15-12(13)2/h4,6-8,10H,3,5,9,11H2,1-2H3,(H,16,17).
What are the key properties of N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine?
N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxypropyl)imidazol-2-yl]-2-methylpyridin-3-amine is sourced from PubChem (CID 106575856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).