N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine

C7H14N3+ — CID 142842804

IUPACN-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine
SMILESC/C=C/CNC1=NCC[NH2+]1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2-3H,4-6H2,1H3,(H2,8,9,10)/p+1/b3-2+
InChIKeyJUIWTKPHUXQHTM-NSCUHMNNSA-O
MW140.21 g/mol
LogP-0.91
Rot. Bonds2

About N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine

N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine (PubChem CID 142842804) has the molecular formula C7H14N3+ and a molecular weight of 140.21 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine
PubChem CID142842804
Molecular FormulaC7H14N3+
Molecular Weight140.21 g/mol
Exact Mass140.12
IUPAC NameN-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine
SMILESC/C=C/CNC1=NCC[NH2+]1
InChIInChI=1S/C7H13N3/c1-2-3-4-8-7-9-5-6-10-7/h2-3H,4-6H2,1H3,(H2,8,9,10)/p+1/b3-2+
InChIKeyJUIWTKPHUXQHTM-NSCUHMNNSA-O
XLogP-0.91
TPSA41.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N-but-2-enyl-4,5-dihydro-1H-imidazol-2-amine
CID 72635091

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine?
The IUPAC name of N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine (CID 142842804) is N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine.
What is the SMILES notation for N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine?
The canonical SMILES for N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine is C/C=C/CNC1=NCC[NH2+]1.
What is the InChIKey of N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine?
The InChIKey is JUIWTKPHUXQHTM-NSCUHMNNSA-O. 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)/p+1/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine?
N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine has a molecular weight of 140.21 g/mol, XLogP of -0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4,5-dihydro-1H-imidazol-1-ium-2-amine is sourced from PubChem (CID 142842804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).