N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine

C13H25N3O — CID 104649119

IUPACN-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(CCCCOC)cn1
InChIInChI=1S/C13H25N3O/c1-3-7-14-8-6-13-11-16(12-15-13)9-4-5-10-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyJZJCNFNESPQYGL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.85
Rot. Bonds10

About N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine

N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine (PubChem CID 104649119) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
PubChem CID104649119
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine
SMILESCCCNCCc1cn(CCCCOC)cn1
InChIInChI=1S/C13H25N3O/c1-3-7-14-8-6-13-11-16(12-15-13)9-4-5-10-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyJZJCNFNESPQYGL-UHFFFAOYSA-N
XLogP1.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine (CID 104649119) is N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine is CCCNCCc1cn(CCCCOC)cn1.
What is the InChIKey of N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine?
The InChIKey is JZJCNFNESPQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-7-14-8-6-13-11-16(12-15-13)9-4-5-10-17-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine?
N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-methoxybutyl)imidazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 104649119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).