1-tert-butyl-2-prop-2-enylguanidine

C8H17N3 — CID 62361985

IUPAC1-tert-butyl-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C8H17N3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3,(H3,9,10,11)
InChIKeyCULRRWUSWSMURX-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds2

About 1-tert-butyl-2-prop-2-enylguanidine

1-tert-butyl-2-prop-2-enylguanidine (PubChem CID 62361985) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-tert-butyl-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-tert-butyl-2-prop-2-enylguanidine
PubChem CID62361985
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-tert-butyl-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C8H17N3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3,(H3,9,10,11)
InChIKeyCULRRWUSWSMURX-UHFFFAOYSA-N
XLogP0.88
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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 1-tert-butyl-2-prop-2-enylguanidine?
The IUPAC name of 1-tert-butyl-2-prop-2-enylguanidine (CID 62361985) is 1-tert-butyl-2-prop-2-enylguanidine.
What is the SMILES notation for 1-tert-butyl-2-prop-2-enylguanidine?
The canonical SMILES for 1-tert-butyl-2-prop-2-enylguanidine is C=CC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-prop-2-enylguanidine?
The InChIKey is CULRRWUSWSMURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-6-10-7(9)11-8(2,3)4/h5H,1,6H2,2-4H3,(H3,9,10,11).
What are the key properties of 1-tert-butyl-2-prop-2-enylguanidine?
1-tert-butyl-2-prop-2-enylguanidine has a molecular weight of 155.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-prop-2-enylguanidine is sourced from PubChem (CID 62361985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).