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

C6H11N3 — CID 12024894

IUPACN-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCNC1=NCCN1
InChIInChI=1S/C6H11N3/c1-2-3-7-6-8-4-5-9-6/h2H,1,3-5H2,(H2,7,8,9)
InChIKeyWXWPNQVXKBIVBX-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.28
Rot. Bonds2

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

N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 12024894) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID12024894
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESC=CCNC1=NCCN1
InChIInChI=1S/C6H11N3/c1-2-3-7-6-8-4-5-9-6/h2H,1,3-5H2,(H2,7,8,9)
InChIKeyWXWPNQVXKBIVBX-UHFFFAOYSA-N
XLogP-0.28
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 12024894) is N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is C=CCNC1=NCCN1.
What is the InChIKey of N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WXWPNQVXKBIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-7-6-8-4-5-9-6/h2H,1,3-5H2,(H2,7,8,9).
What are the key properties of N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 125.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 12024894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).