N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine

C14H18N4O — CID 57036899

IUPACN-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine
SMILESNCCONC(=CCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-7-11-19-17-14(13-4-2-1-3-5-13)6-9-18-10-8-16-12-18/h1-6,8,10,12,17H,7,9,11,15H2
InChIKeyQIACSFRRMVCKIQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds7

About N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine

N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine (PubChem CID 57036899) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound NameN-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine
PubChem CID57036899
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine
SMILESNCCONC(=CCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O/c15-7-11-19-17-14(13-4-2-1-3-5-13)6-9-18-10-8-16-12-18/h1-6,8,10,12,17H,7,9,11,15H2
InChIKeyQIACSFRRMVCKIQ-UHFFFAOYSA-N
XLogP1.40
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 117064117
N-(2-imidazol-1-ylethyl)-3-oxo-3-phenylpropanamide
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1-(2-phenyl-2-sulfonylethyl)imidazole
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methyl 2-benzyl-3-imidazol-1-ylpropanoate
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CID 53325760
benzoic acid;1-propylimidazole
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CID 73178422

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine?
The IUPAC name of N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine (CID 57036899) is N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine.
What is the SMILES notation for N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine?
The canonical SMILES for N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine is NCCONC(=CCn1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine?
The InChIKey is QIACSFRRMVCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-7-11-19-17-14(13-4-2-1-3-5-13)6-9-18-10-8-16-12-18/h1-6,8,10,12,17H,7,9,11,15H2.
What are the key properties of N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine?
N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine has a molecular weight of 258.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 57036899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).