2-(4-tert-butylpiperidin-1-yl)butanimidamide

C13H27N3 — CID 62090215

IUPAC2-(4-tert-butylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3/c1-5-11(12(14)15)16-8-6-10(7-9-16)13(2,3)4/h10-11H,5-9H2,1-4H3,(H3,14,15)
InChIKeyXALIIXYBRWJHPU-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.46
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)butanimidamide

2-(4-tert-butylpiperidin-1-yl)butanimidamide (PubChem CID 62090215) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)butanimidamide
PubChem CID62090215
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-(4-tert-butylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H27N3/c1-5-11(12(14)15)16-8-6-10(7-9-16)13(2,3)4/h10-11H,5-9H2,1-4H3,(H3,14,15)
InChIKeyXALIIXYBRWJHPU-UHFFFAOYSA-N
XLogP2.46
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(4-tert-butylpiperidin-1-yl)butanimidamide?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)butanimidamide (CID 62090215) is 2-(4-tert-butylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)C(CC)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)butanimidamide?
The InChIKey is XALIIXYBRWJHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-5-11(12(14)15)16-8-6-10(7-9-16)13(2,3)4/h10-11H,5-9H2,1-4H3,(H3,14,15).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)butanimidamide?
2-(4-tert-butylpiperidin-1-yl)butanimidamide has a molecular weight of 225.38 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 62090215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).