1-amino-2-(2,2-dimethylbut-3-enyl)guanidine

C7H16N4 — CID 130878848

IUPAC1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
SMILESC=CC(C)(C)C/N=C(\N)NN
InChIInChI=1S/C7H16N4/c1-4-7(2,3)5-10-6(8)11-9/h4H,1,5,9H2,2-3H3,(H3,8,10,11)
InChIKeyLRXJDMQTXFLQOU-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.02
Rot. Bonds3

About 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine

1-amino-2-(2,2-dimethylbut-3-enyl)guanidine (PubChem CID 130878848) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
PubChem CID130878848
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-amino-2-(2,2-dimethylbut-3-enyl)guanidine
SMILESC=CC(C)(C)C/N=C(\N)NN
InChIInChI=1S/C7H16N4/c1-4-7(2,3)5-10-6(8)11-9/h4H,1,5,9H2,2-3H3,(H3,8,10,11)
InChIKeyLRXJDMQTXFLQOU-UHFFFAOYSA-N
XLogP-0.02
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine?
The IUPAC name of 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine (CID 130878848) is 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine.
What is the SMILES notation for 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine?
The canonical SMILES for 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine is C=CC(C)(C)C/N=C(\N)NN.
What is the InChIKey of 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine?
The InChIKey is LRXJDMQTXFLQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-4-7(2,3)5-10-6(8)11-9/h4H,1,5,9H2,2-3H3,(H3,8,10,11).
What are the key properties of 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine?
1-amino-2-(2,2-dimethylbut-3-enyl)guanidine has a molecular weight of 156.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,2-dimethylbut-3-enyl)guanidine is sourced from PubChem (CID 130878848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).