N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine

C9H17N3O — CID 103852680

IUPACN-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCCOCCNC1=NCCN1
InChIInChI=1S/C9H17N3O/c1-2-3-7-13-8-6-12-9-10-4-5-11-9/h2H,1,3-8H2,(H2,10,11,12)
InChIKeyWGVVKZROHCWTGO-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.13
Rot. Bonds6

About N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 103852680) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID103852680
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCCOCCNC1=NCCN1
InChIInChI=1S/C9H17N3O/c1-2-3-7-13-8-6-12-9-10-4-5-11-9/h2H,1,3-8H2,(H2,10,11,12)
InChIKeyWGVVKZROHCWTGO-UHFFFAOYSA-N
XLogP0.13
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-But-3-enoxyethyl)-2-methylguanidine
CID 103852686
1-(2-But-3-enoxyethyl)-2-(2-methylpropyl)guanidine
CID 103852804
1-(2-But-3-enoxyethyl)-2-propylguanidine
CID 103852805
2-(2-But-3-enoxyethyl)-1-ethylguanidine
CID 103852806
2-(2-But-3-enoxyethyl)-1-propan-2-ylguanidine
CID 103852808
3-(2-Ethoxyethyl)-1,2-dimethyl-1-pent-4-enylguanidine
CID 109499098
2-(2-But-3-enoxyethyl)-1,3-diethylguanidine;hydroiodide
CID 109616304
2-(2-But-3-enoxyethyl)-1,3-diethylguanidine
CID 109616305
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 109616306
2-(2-But-3-enoxyethyl)-1-(2-methoxyethyl)guanidine
CID 109616307
1-(2-But-3-enoxyethyl)-3-cyclopropyl-2-methylguanidine
CID 109616309
1-(2-But-3-enoxyethyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 109616384

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 103852680) is N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine is C=CCCOCCNC1=NCCN1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WGVVKZROHCWTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-7-13-8-6-12-9-10-4-5-11-9/h2H,1,3-8H2,(H2,10,11,12).
What are the key properties of N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 183.25 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 103852680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).