2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

C14H23N5O — CID 66400715

IUPAC2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCCn1cncc1Cn1ccnc1CNCCOC
InChIInChI=1S/C14H23N5O/c1-3-6-19-12-16-9-13(19)11-18-7-4-17-14(18)10-15-5-8-20-2/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyNUANMFYQOUFVLC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.27
Rot. Bonds9

About 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 66400715) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID66400715
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCCn1cncc1Cn1ccnc1CNCCOC
InChIInChI=1S/C14H23N5O/c1-3-6-19-12-16-9-13(19)11-18-7-4-17-14(18)10-15-5-8-20-2/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3
InChIKeyNUANMFYQOUFVLC-UHFFFAOYSA-N
XLogP1.27
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-[(3-ethylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66153964
2-methoxy-N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66401488
2-methoxy-N-[[1-[(1-methyltriazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 107045520
N-[[1-[(3-methylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 66142150
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
N-[[3-(2-imidazol-1-ylethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 66148202
N-[[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66400904
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
1-[(3-propylimidazol-4-yl)methyl]imidazole-2-carbaldehyde
CID 66154390
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
N-[[1-[(3,4-dimethylphenyl)methyl]imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402671
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine (CID 66400715) is 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is CCCn1cncc1Cn1ccnc1CNCCOC.
What is the InChIKey of 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is NUANMFYQOUFVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-3-6-19-12-16-9-13(19)11-18-7-4-17-14(18)10-15-5-8-20-2/h4,7,9,12,15H,3,5-6,8,10-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 277.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[(3-propylimidazol-4-yl)methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66400715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).