4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide

C12H25N3 — CID 20592815

IUPAC4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3/c1-12(2,3)10-6-8-15(9-7-10)11(13-4)14-5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyOKPDWJJAAMGMIX-UHFFFAOYSA-N
MW211.35 g/mol
LogP1.95
Rot. Bonds

About 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide

4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide (PubChem CID 20592815) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide
PubChem CID20592815
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide
SMILESC/N=C(\NC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H25N3/c1-12(2,3)10-6-8-15(9-7-10)11(13-4)14-5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyOKPDWJJAAMGMIX-UHFFFAOYSA-N
XLogP1.95
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide (CID 20592815) is 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide is C/N=C(\NC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide?
The InChIKey is OKPDWJJAAMGMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)10-6-8-15(9-7-10)11(13-4)14-5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide?
4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N'-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 20592815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).