2-methyl-1-(2-methylprop-1-enyl)guanidine

C6H13N3 — CID 143989490

IUPAC2-methyl-1-(2-methylprop-1-enyl)guanidine
SMILESC/N=C(\N)NC=C(C)C
InChIInChI=1S/C6H13N3/c1-5(2)4-9-6(7)8-3/h4H,1-3H3,(H3,7,8,9)
InChIKeyYFHYYWGLBWEACN-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds1

About 2-methyl-1-(2-methylprop-1-enyl)guanidine

2-methyl-1-(2-methylprop-1-enyl)guanidine (PubChem CID 143989490) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-1-enyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-1-enyl)guanidine
PubChem CID143989490
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name2-methyl-1-(2-methylprop-1-enyl)guanidine
SMILESC/N=C(\N)NC=C(C)C
InChIInChI=1S/C6H13N3/c1-5(2)4-9-6(7)8-3/h4H,1-3H3,(H3,7,8,9)
InChIKeyYFHYYWGLBWEACN-UHFFFAOYSA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylprop-1-enyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methylprop-1-enyl)guanidine (CID 143989490) is 2-methyl-1-(2-methylprop-1-enyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methylprop-1-enyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methylprop-1-enyl)guanidine is C/N=C(\N)NC=C(C)C.
What is the InChIKey of 2-methyl-1-(2-methylprop-1-enyl)guanidine?
The InChIKey is YFHYYWGLBWEACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-5(2)4-9-6(7)8-3/h4H,1-3H3,(H3,7,8,9).
What are the key properties of 2-methyl-1-(2-methylprop-1-enyl)guanidine?
2-methyl-1-(2-methylprop-1-enyl)guanidine has a molecular weight of 127.19 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-1-enyl)guanidine is sourced from PubChem (CID 143989490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).