4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide

C16H31N3 — CID 62363188

IUPAC4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
SMILESCC(C)(C)C1CCN(/C(N)=N/C2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)13-9-11-19(12-10-13)15(17)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,17,18)
InChIKeyMXRMBUVNZYTZLM-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.39
Rot. Bonds1

About 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide

4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide (PubChem CID 62363188) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
PubChem CID62363188
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide
SMILESCC(C)(C)C1CCN(/C(N)=N/C2CCCCC2)CC1
InChIInChI=1S/C16H31N3/c1-16(2,3)13-9-11-19(12-10-13)15(17)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,17,18)
InChIKeyMXRMBUVNZYTZLM-UHFFFAOYSA-N
XLogP3.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.39
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'-cyclohexylpiperidine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide (CID 62363188) is 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide is CC(C)(C)C1CCN(/C(N)=N/C2CCCCC2)CC1.
What is the InChIKey of 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide?
The InChIKey is MXRMBUVNZYTZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-16(2,3)13-9-11-19(12-10-13)15(17)18-14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide?
4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide has a molecular weight of 265.44 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-cyclohexylpiperidine-1-carboximidamide is sourced from PubChem (CID 62363188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).