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

C7H13N3 — CID 72635091

IUPACN-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC=CCNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2-3H,4-6H2,1H3,(H2,8,9,10)
InChIKeyJUIWTKPHUXQHTM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.11
Rot. Bonds2

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

N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 72635091) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID72635091
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC=CCNC1=NCCN1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2-3H,4-6H2,1H3,(H2,8,9,10)
InChIKeyJUIWTKPHUXQHTM-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 426167
Diallylguanidine
CID 15368370
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 24195406
N-prop-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 12024894
2-Methyl-1-prop-2-enylguanidine
CID 18952267
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
N-but-3-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 58705258
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-2-amine
CID 60052224
N-[1-(1-prop-2-enyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69731760
4,5-dihydro-1H-imidazole;prop-2-en-1-amine
CID 70140878
5-ethenyl-4,5-dihydro-1H-imidazol-2-amine
CID 91291277

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine (CID 72635091) is N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine is CC=CCNC1=NCCN1.
What is the InChIKey of N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JUIWTKPHUXQHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2-3H,4-6H2,1H3,(H2,8,9,10).
What are the key properties of N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine?
N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 72635091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).