1-tert-butyl-2,3-dimethylguanidine

C7H17N3 — CID 55284996

IUPAC1-tert-butyl-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-7(2,3)10-6(8-4)9-5/h1-5H3,(H2,8,9,10)
InChIKeyKTHFBVXMTDGYPE-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.58
Rot. Bonds

About 1-tert-butyl-2,3-dimethylguanidine

1-tert-butyl-2,3-dimethylguanidine (PubChem CID 55284996) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dimethylguanidine.

Molecular Properties

Compound Name1-tert-butyl-2,3-dimethylguanidine
PubChem CID55284996
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-tert-butyl-2,3-dimethylguanidine
SMILESC/N=C(\NC)NC(C)(C)C
InChIInChI=1S/C7H17N3/c1-7(2,3)10-6(8-4)9-5/h1-5H3,(H2,8,9,10)
InChIKeyKTHFBVXMTDGYPE-UHFFFAOYSA-N
XLogP0.58
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.58
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

N,N',N''-tris(propan-2-yl)guanidine
CID 547015
Guanidine, N,N'-bis(1-methylethyl)-
CID 198192
N,N'-Di-tert-butylmethanimidamide
CID 59892021
1,2,3-Triethylguanidine
CID 240729
1-Tert-butyl-3-cyano-2-methylguanidine
CID 2748675
(Tert-butylamino)methylidene-dimethylazanium
CID 18462341
1-Tert-butyl-2-methylguanidine
CID 18952136
2-Methyl-1,3-di(propan-2-yl)guanidine
CID 21364757
1,3-Di-tert-butylguanidine
CID 23103888
[(Tert-butylamino)-(dimethylamino)methylidene]-dimethylazanium
CID 51385382
[(Tert-butylamino)-(diethylamino)methylidene]-diethylazanium
CID 53804038
[Amino-(tert-butylamino)methylidene]-ethylazanium
CID 58319935

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dimethylguanidine?
The IUPAC name of 1-tert-butyl-2,3-dimethylguanidine (CID 55284996) is 1-tert-butyl-2,3-dimethylguanidine.
What is the SMILES notation for 1-tert-butyl-2,3-dimethylguanidine?
The canonical SMILES for 1-tert-butyl-2,3-dimethylguanidine is C/N=C(\NC)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,3-dimethylguanidine?
The InChIKey is KTHFBVXMTDGYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-7(2,3)10-6(8-4)9-5/h1-5H3,(H2,8,9,10).
What are the key properties of 1-tert-butyl-2,3-dimethylguanidine?
1-tert-butyl-2,3-dimethylguanidine has a molecular weight of 143.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dimethylguanidine is sourced from PubChem (CID 55284996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).