1-tert-butyl-2-(3-methylbut-2-enyl)guanidine

C10H21N3 — CID 103517452

IUPAC1-tert-butyl-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H21N3/c1-8(2)6-7-12-9(11)13-10(3,4)5/h6H,7H2,1-5H3,(H3,11,12,13)
InChIKeyILWMGUTYFCABHU-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.66
Rot. Bonds2

About 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine

1-tert-butyl-2-(3-methylbut-2-enyl)guanidine (PubChem CID 103517452) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(3-methylbut-2-enyl)guanidine
PubChem CID103517452
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-tert-butyl-2-(3-methylbut-2-enyl)guanidine
SMILESCC(C)=CC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H21N3/c1-8(2)6-7-12-9(11)13-10(3,4)5/h6H,7H2,1-5H3,(H3,11,12,13)
InChIKeyILWMGUTYFCABHU-UHFFFAOYSA-N
XLogP1.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.66
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-(3-methylbut-2-enyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine (CID 103517452) is 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine is CC(C)=CC/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine?
The InChIKey is ILWMGUTYFCABHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-8(2)6-7-12-9(11)13-10(3,4)5/h6H,7H2,1-5H3,(H3,11,12,13).
What are the key properties of 1-tert-butyl-2-(3-methylbut-2-enyl)guanidine?
1-tert-butyl-2-(3-methylbut-2-enyl)guanidine has a molecular weight of 183.30 g/mol, XLogP of 1.66, 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-(3-methylbut-2-enyl)guanidine is sourced from PubChem (CID 103517452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).