1-tert-butyl-2-methylguanidine

C6H15N3 — CID 18952136

IUPAC1-tert-butyl-2-methylguanidine
SMILESC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9)
InChIKeyQPEDHPOKCAQSTF-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.32
Rot. Bonds

About 1-tert-butyl-2-methylguanidine

1-tert-butyl-2-methylguanidine (PubChem CID 18952136) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 1-tert-butyl-2-methylguanidine.

Molecular Properties

Compound Name1-tert-butyl-2-methylguanidine
PubChem CID18952136
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name1-tert-butyl-2-methylguanidine
SMILESC/N=C(\N)NC(C)(C)C
InChIInChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9)
InChIKeyQPEDHPOKCAQSTF-UHFFFAOYSA-N
XLogP0.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.32
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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Related Compounds

5,5-dimethyl-4,5-dihydro-1H-imidazol-2-amine hydrobromide
CID 17851060
4,4-dimethyl-4,5-dihydro-1H-imidazol-2-amine
CID 17851061
CID 11095795
CID 11095795
1-Tert-butyl-2-(2,2,2-trifluoroethyl)guanidine
CID 62362393
1-Tert-butyl-2-(2,2-difluoroethyl)guanidine
CID 79727037
1-Tert-butyl-3-cyano-2-methylguanidine
CID 2748675
1,3-Di-tert-butylguanidine
CID 23103888
[(Tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
CID 51385382
1-Tert-butyl-2,3-dimethylguanidine
CID 55284996
1-Tert-butyl-2-propan-2-ylguanidine
CID 57854231
[Amino-(tert-butylamino)methylidene]-ethylazanium
CID 58319935
1-Tert-butyl-2-ethylguanidine
CID 58319936

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylguanidine?
The IUPAC name of 1-tert-butyl-2-methylguanidine (CID 18952136) is 1-tert-butyl-2-methylguanidine.
What is the SMILES notation for 1-tert-butyl-2-methylguanidine?
The canonical SMILES for 1-tert-butyl-2-methylguanidine is C/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylguanidine?
The InChIKey is QPEDHPOKCAQSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(2,3)9-5(7)8-4/h1-4H3,(H3,7,8,9).
What are the key properties of 1-tert-butyl-2-methylguanidine?
1-tert-butyl-2-methylguanidine has a molecular weight of 129.21 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylguanidine is sourced from PubChem (CID 18952136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).