2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine

C10H17N3O — CID 115770529

IUPAC2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1cnc[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-5-14-6-4-11-7-10-8-12-9-13-10/h2,8-9,11H,1,3-7H2,(H,12,13)
InChIKeyZKFQLFAXFOVCAM-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.09
Rot. Bonds8

About 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine

2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 115770529) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID115770529
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESC=CCCOCCNCc1cnc[nH]1
InChIInChI=1S/C10H17N3O/c1-2-3-5-14-6-4-11-7-10-8-12-9-13-10/h2,8-9,11H,1,3-7H2,(H,12,13)
InChIKeyZKFQLFAXFOVCAM-UHFFFAOYSA-N
XLogP1.09
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 103578738
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
N-(1H-imidazol-5-ylmethyl)-4-methoxybutan-1-amine
CID 62762848
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
2-but-3-enoxy-N-(isoquinolin-4-ylmethyl)ethanamine
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2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115770560
N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
CID 104655741
N-(1H-imidazol-5-ylmethyl)-5-methoxypentan-1-amine;hydrochloride
CID 115607731
2-but-3-enoxy-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103854397
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
N-(1H-imidazol-5-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844313
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 115770529) is 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine is C=CCCOCCNCc1cnc[nH]1.
What is the InChIKey of 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is ZKFQLFAXFOVCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-3-5-14-6-4-11-7-10-8-12-9-13-10/h2,8-9,11H,1,3-7H2,(H,12,13).
What are the key properties of 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine?
2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115770529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).