3-(3,5-dimethylpiperidin-1-yl)butanimidamide

C11H23N3 — CID 60914525

IUPAC3-(3,5-dimethylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H23N3/c1-8-4-9(2)7-14(6-8)10(3)5-11(12)13/h8-10H,4-7H2,1-3H3,(H3,12,13)
InChIKeyFUCGTNABPGOTJF-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.68
Rot. Bonds3

About 3-(3,5-dimethylpiperidin-1-yl)butanimidamide

3-(3,5-dimethylpiperidin-1-yl)butanimidamide (PubChem CID 60914525) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)butanimidamide
PubChem CID60914525
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H23N3/c1-8-4-9(2)7-14(6-8)10(3)5-11(12)13/h8-10H,4-7H2,1-3H3,(H3,12,13)
InChIKeyFUCGTNABPGOTJF-UHFFFAOYSA-N
XLogP1.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.68
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 3-(3,5-dimethylpiperidin-1-yl)butanimidamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)butanimidamide (CID 60914525) is 3-(3,5-dimethylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)butanimidamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)butanimidamide is [H]/N=C(\N)CC(C)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)butanimidamide?
The InChIKey is FUCGTNABPGOTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-8-4-9(2)7-14(6-8)10(3)5-11(12)13/h8-10H,4-7H2,1-3H3,(H3,12,13).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)butanimidamide?
3-(3,5-dimethylpiperidin-1-yl)butanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 60914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).