1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine

C7H13N3 — CID 88870889

IUPAC1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine
SMILES[H]/N=C(\N=C)N(C)C=C(C)C
InChIInChI=1S/C7H13N3/c1-6(2)5-10(4)7(8)9-3/h5,8H,3H2,1-2,4H3/b8-7+
InChIKeyNBQOHVOAOXJOBO-BQYQJAHWSA-N
MW139.20 g/mol
LogP1.48
Rot. Bonds1

About 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine

1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine (PubChem CID 88870889) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine.

Molecular Properties

Compound Name1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine
PubChem CID88870889
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine
SMILES[H]/N=C(\N=C)N(C)C=C(C)C
InChIInChI=1S/C7H13N3/c1-6(2)5-10(4)7(8)9-3/h5,8H,3H2,1-2,4H3/b8-7+
InChIKeyNBQOHVOAOXJOBO-BQYQJAHWSA-N
XLogP1.48
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine?
The IUPAC name of 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine (CID 88870889) is 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine.
What is the SMILES notation for 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine?
The canonical SMILES for 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine is [H]/N=C(\N=C)N(C)C=C(C)C.
What is the InChIKey of 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine?
The InChIKey is NBQOHVOAOXJOBO-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)5-10(4)7(8)9-3/h5,8H,3H2,1-2,4H3/b8-7+.
What are the key properties of 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine?
1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine has a molecular weight of 139.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylidene-1-(2-methylprop-1-enyl)guanidine is sourced from PubChem (CID 88870889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).