N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine

C10H19N3O — CID 106719021

IUPACN-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC)cn1
InChIInChI=1S/C10H19N3O/c1-3-4-11-7-10-8-13(9-12-10)5-6-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyCSLSWMJXCGLVPX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.03
Rot. Bonds7

About N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine

N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106719021) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID106719021
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(CCOC)cn1
InChIInChI=1S/C10H19N3O/c1-3-4-11-7-10-8-13(9-12-10)5-6-14-2/h8-9,11H,3-7H2,1-2H3
InChIKeyCSLSWMJXCGLVPX-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.03
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-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine (CID 106719021) is N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(CCOC)cn1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is CSLSWMJXCGLVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-11-7-10-8-13(9-12-10)5-6-14-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine?
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106719021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).