N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine

C11H21N3O — CID 106455233

IUPACN-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCCOCCn1ccnc1CNCC
InChIInChI=1S/C11H21N3O/c1-3-8-15-9-7-14-6-5-13-11(14)10-12-4-2/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeySOCPLCUWLVQUNF-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds8

About N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine

N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 106455233) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
PubChem CID106455233
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine
SMILESCCCOCCn1ccnc1CNCC
InChIInChI=1S/C11H21N3O/c1-3-8-15-9-7-14-6-5-13-11(14)10-12-4-2/h5-6,12H,3-4,7-10H2,1-2H3
InChIKeySOCPLCUWLVQUNF-UHFFFAOYSA-N
XLogP1.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
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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Related Compounds

2-[2-[2-(ethylaminomethyl)imidazol-1-yl]ethoxy]ethanol
CID 62221793
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 62222724
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine (CID 106455233) is N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine is CCCOCCn1ccnc1CNCC.
What is the InChIKey of N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is SOCPLCUWLVQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-8-15-9-7-14-6-5-13-11(14)10-12-4-2/h5-6,12H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine?
N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106455233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).