N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine

C7H13N3 — CID 58705258

IUPACN-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCCNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2H,1,3-6H2,(H2,8,9,10)
InChIKeyGUGOCBZOWIWAFX-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.11
Rot. Bonds3

About N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine

N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 58705258) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID58705258
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCCNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2H,1,3-6H2,(H2,8,9,10)
InChIKeyGUGOCBZOWIWAFX-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.11
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 58705258) is N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCCNC1=NCCN1.
What is the InChIKey of N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is GUGOCBZOWIWAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2H,1,3-6H2,(H2,8,9,10).
What are the key properties of N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine?
N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 58705258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).