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

C16H29N3 — CID 91504539

IUPAC1,2,3-tris(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CCN=C(NCCC(=C)C)NCCC(=C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-17-16(18-11-8-14(3)4)19-12-9-15(5)6/h1,3,5,7-12H2,2,4,6H3,(H2,17,18,19)
InChIKeyWDABRZJMJPNNOZ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.42
Rot. Bonds9

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

1,2,3-tris(3-methylbut-3-enyl)guanidine (PubChem CID 91504539) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1,2,3-tris(3-methylbut-3-enyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(3-methylbut-3-enyl)guanidine
PubChem CID91504539
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1,2,3-tris(3-methylbut-3-enyl)guanidine
SMILESC=C(C)CCN=C(NCCC(=C)C)NCCC(=C)C
InChIInChI=1S/C16H29N3/c1-13(2)7-10-17-16(18-11-8-14(3)4)19-12-9-15(5)6/h1,3,5,7-12H2,2,4,6H3,(H2,17,18,19)
InChIKeyWDABRZJMJPNNOZ-UHFFFAOYSA-N
XLogP3.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
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

1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
1,1,2-Tris(3-methylbut-3-enyl)guanidine
CID 163189609
N,N'-diisopentenylguanidine
CID 91369226
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
N-(2-methylidenebutyl)-4,5-dihydro-1H-imidazol-2-amine
CID 91169175
1-(Diaminomethylidene)-2-methyl-3-(3-methylidenepent-4-enyl)guanidine
CID 123187756
2-Methyl-1-(2-methylidenebutyl)guanidine
CID 130672906
2-Methyl-1-(3-methylbut-3-enyl)guanidine
CID 130948714
6-ethylimino-2-(2-methylprop-2-enyl)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 137154658
1,2-Dimethyl-3-(4-methylpent-4-enyl)guanidine;molecular hydrogen
CID 142877495
1-Cyano-2-methyl-3-(4-methylpent-4-enyl)guanidine
CID 155719816
1,2-Dimethyl-3-(2-methylpropyl)-1-pent-4-enylguanidine
CID 109495993

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(3-methylbut-3-enyl)guanidine?
The IUPAC name of 1,2,3-tris(3-methylbut-3-enyl)guanidine (CID 91504539) is 1,2,3-tris(3-methylbut-3-enyl)guanidine.
What is the SMILES notation for 1,2,3-tris(3-methylbut-3-enyl)guanidine?
The canonical SMILES for 1,2,3-tris(3-methylbut-3-enyl)guanidine is C=C(C)CCN=C(NCCC(=C)C)NCCC(=C)C.
What is the InChIKey of 1,2,3-tris(3-methylbut-3-enyl)guanidine?
The InChIKey is WDABRZJMJPNNOZ-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/h1,3,5,7-12H2,2,4,6H3,(H2,17,18,19).
What are the key properties of 1,2,3-tris(3-methylbut-3-enyl)guanidine?
1,2,3-tris(3-methylbut-3-enyl)guanidine has a molecular weight of 263.43 g/mol, XLogP of 3.42, 9 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-3-enyl)guanidine is sourced from PubChem (CID 91504539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).