1-ethyl-2-(3-methylbut-2-enyl)guanidine

C8H17N3 — CID 103517451

IUPAC1-ethyl-2-(3-methylbut-2-enyl)guanidine
SMILESCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C8H17N3/c1-4-10-8(9)11-6-5-7(2)3/h5H,4,6H2,1-3H3,(H3,9,10,11)
InChIKeyHQLNTSBTOYLREO-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds3

About 1-ethyl-2-(3-methylbut-2-enyl)guanidine

1-ethyl-2-(3-methylbut-2-enyl)guanidine (PubChem CID 103517451) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-ethyl-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-methylbut-2-enyl)guanidine
PubChem CID103517451
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-ethyl-2-(3-methylbut-2-enyl)guanidine
SMILESCCN/C(N)=N/CC=C(C)C
InChIInChI=1S/C8H17N3/c1-4-10-8(9)11-6-5-7(2)3/h5H,4,6H2,1-3H3,(H3,9,10,11)
InChIKeyHQLNTSBTOYLREO-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-Aminohexyl)-3-(3-methylbut-2-enyl)guanidine
CID 9949085
1-(5-Aminopentyl)-3-(3-methylbut-2-enyl)guanidine
CID 9990774
Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
Pterogynidine
CID 10035557
1-(4-Carbamimidamidobutyl)-3-(3-methylbut-2-en-1-yl)guanidine
CID 44221328
1-[3-[(3-Aminopropyl)amino]propyl]-3-(3-methylbut-2-en-1-yl)guanidine
CID 44222464
N,N'''-butane-1,4-diylbis[3-(3-methylbut-2-en-1-yl)guanidine]
CID 45266946
1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
N-prenylagmatine
CID 25203666
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine
CID 426167
1-(4-Carbamimidamidobutyl)-2-(3-methylbut-2-enyl)guanidine
CID 176524139
1-(2-Fluoroethyl)-2-(2-methylprop-2-enyl)guanidine
CID 131224434

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-methylbut-2-enyl)guanidine (CID 103517451) is 1-ethyl-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-methylbut-2-enyl)guanidine is CCN/C(N)=N/CC=C(C)C.
What is the InChIKey of 1-ethyl-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is HQLNTSBTOYLREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-4-10-8(9)11-6-5-7(2)3/h5H,4,6H2,1-3H3,(H3,9,10,11).
What are the key properties of 1-ethyl-2-(3-methylbut-2-enyl)guanidine?
1-ethyl-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 103517451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).