1,2,3-tris(3-methylbut-2-enyl)guanidine

C16H29N3 — CID 14781546

IUPAC1,2,3-tris(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CCN=C(NCC=C(C)C)NCC=C(C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-17-16(18-11-8-14(3)4)19-12-9-15(5)6/h7-9H,10-12H2,1-6H3,(H2,17,18,19)
InChIKeyQNYKAPDLFBDEOG-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.42
Rot. Bonds6

About 1,2,3-tris(3-methylbut-2-enyl)guanidine

1,2,3-tris(3-methylbut-2-enyl)guanidine (PubChem CID 14781546) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,2,3-tris(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(3-methylbut-2-enyl)guanidine
PubChem CID14781546
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,2,3-tris(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CCN=C(NCC=C(C)C)NCC=C(C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-17-16(18-11-8-14(3)4)19-12-9-15(5)6/h7-9H,10-12H2,1-6H3,(H2,17,18,19)
InChIKeyQNYKAPDLFBDEOG-UHFFFAOYSA-N
XLogP3.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.42
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

Guanidine, N-(4-aminobutyl)-N'-(3-methyl-2-buten-1-yl)-
CID 10081459
1-(5-Aminopentyl)-3-(3-methylbut-2-enyl)guanidine
CID 9990774
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
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
1,2,3-Tris(3-methylbut-3-enyl)guanidine
CID 91504539
N-(3-methylbut-2-enyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 24195406
1,3-Di(propan-2-yl)-2-prop-2-enylguanidine
CID 59816768

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1,2,3-tris(3-methylbut-2-enyl)guanidine (CID 14781546) is 1,2,3-tris(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1,2,3-tris(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1,2,3-tris(3-methylbut-2-enyl)guanidine is CC(C)=CCN=C(NCC=C(C)C)NCC=C(C)C.
What is the InChIKey of 1,2,3-tris(3-methylbut-2-enyl)guanidine?
The InChIKey is QNYKAPDLFBDEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-13(2)7-10-17-16(18-11-8-14(3)4)19-12-9-15(5)6/h7-9H,10-12H2,1-6H3,(H2,17,18,19).
What are the key properties of 1,2,3-tris(3-methylbut-2-enyl)guanidine?
1,2,3-tris(3-methylbut-2-enyl)guanidine has a molecular weight of 263.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 14781546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).