N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine

C11H21N3O — CID 106937929

IUPACN-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1nccn1CC
InChIInChI=1S/C11H21N3O/c1-3-5-12-7-9-15-10-11-13-6-8-14(11)4-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyYVHHBKQTBJHPHL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds8

About N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine

N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine (PubChem CID 106937929) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
PubChem CID106937929
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine
SMILESCCCNCCOCc1nccn1CC
InChIInChI=1S/C11H21N3O/c1-3-5-12-7-9-15-10-11-13-6-8-14(11)4-2/h6,8,12H,3-5,7,9-10H2,1-2H3
InChIKeyYVHHBKQTBJHPHL-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

N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[2-[(1-ethylimidazol-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 62736402
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-1-amine
CID 79738438
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
3-[(1-ethylimidazol-2-yl)methoxymethyl]pentan-3-amine
CID 106938283
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
4-(2-ethylimidazol-1-yl)-N-propylbutan-1-amine
CID 62440432
1-ethyl-2-(2-methoxyethyl)imidazole
CID 175783525
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine (CID 106937929) is N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine is CCCNCCOCc1nccn1CC.
What is the InChIKey of N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine?
The InChIKey is YVHHBKQTBJHPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-5-12-7-9-15-10-11-13-6-8-14(11)4-2/h6,8,12H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine?
N-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine 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-[2-[(1-ethylimidazol-2-yl)methoxy]ethyl]propan-1-amine is sourced from PubChem (CID 106937929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).