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

C7H15N3 — CID 87780058

IUPAC2-methyl-1-(3-methylbut-2-enyl)guanidine
SMILESC/N=C(\N)NCC=C(C)C
InChIInChI=1S/C7H15N3/c1-6(2)4-5-10-7(8)9-3/h4H,5H2,1-3H3,(H3,8,9,10)
InChIKeyJUDQCYGVCDBSOE-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.49
Rot. Bonds2

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

2-methyl-1-(3-methylbut-2-enyl)guanidine (PubChem CID 87780058) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-methyl-1-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-methylbut-2-enyl)guanidine
PubChem CID87780058
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-methyl-1-(3-methylbut-2-enyl)guanidine
SMILESC/N=C(\N)NCC=C(C)C
InChIInChI=1S/C7H15N3/c1-6(2)4-5-10-7(8)9-3/h4H,5H2,1-3H3,(H3,8,9,10)
InChIKeyJUDQCYGVCDBSOE-UHFFFAOYSA-N
XLogP0.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.49
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 2-methyl-1-(3-methylbut-2-enyl)guanidine (CID 87780058) is 2-methyl-1-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-methylbut-2-enyl)guanidine is C/N=C(\N)NCC=C(C)C.
What is the InChIKey of 2-methyl-1-(3-methylbut-2-enyl)guanidine?
The InChIKey is JUDQCYGVCDBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-6(2)4-5-10-7(8)9-3/h4H,5H2,1-3H3,(H3,8,9,10).
What are the key properties of 2-methyl-1-(3-methylbut-2-enyl)guanidine?
2-methyl-1-(3-methylbut-2-enyl)guanidine has a molecular weight of 141.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 87780058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).