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

C8H18N4 — CID 24879370

IUPAC1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCN
InChIInChI=1S/C8H18N4/c1-7(2)3-5-11-8(10)12-6-4-9/h3H,4-6,9H2,1-2H3,(H3,10,11,12)
InChIKeyGMSHUABDYXCGDC-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.18
Rot. Bonds4

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

1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine (PubChem CID 24879370) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine
PubChem CID24879370
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NCCN
InChIInChI=1S/C8H18N4/c1-7(2)3-5-11-8(10)12-6-4-9/h3H,4-6,9H2,1-2H3,(H3,10,11,12)
InChIKeyGMSHUABDYXCGDC-UHFFFAOYSA-N
XLogP-0.18
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 24195406

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine (CID 24879370) is 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine is CC(C)=CC/N=C(\N)NCCN.
What is the InChIKey of 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is GMSHUABDYXCGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(2)3-5-11-8(10)12-6-4-9/h3H,4-6,9H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine?
1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.18, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-2-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 24879370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).