N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine

C13H25N3O2 — CID 106719077

IUPACN-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCCOCCOC)cn1
InChIInChI=1S/C13H25N3O2/c1-3-5-14-10-13-11-16(12-15-13)6-4-7-18-9-8-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyQRYBZJBNNJSCLP-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.44
Rot. Bonds11

About N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine

N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719077) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719077
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCCOCCOC)cn1
InChIInChI=1S/C13H25N3O2/c1-3-5-14-10-13-11-16(12-15-13)6-4-7-18-9-8-17-2/h11-12,14H,3-10H2,1-2H3
InChIKeyQRYBZJBNNJSCLP-UHFFFAOYSA-N
XLogP1.44
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.44
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-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine (CID 106719077) is N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCCOCCOC)cn1.
What is the InChIKey of N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is QRYBZJBNNJSCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-5-14-10-13-11-16(12-15-13)6-4-7-18-9-8-17-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine?
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 255.36 g/mol, XLogP of 1.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).