3-(2,2-dimethylpropyl)piperidine-1-carboximidamide

C11H23N3 — CID 67674122

IUPAC3-(2,2-dimethylpropyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C11H23N3/c1-11(2,3)7-9-5-4-6-14(8-9)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyPMISSVRBSKTIMX-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.03
Rot. Bonds1

About 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide

3-(2,2-dimethylpropyl)piperidine-1-carboximidamide (PubChem CID 67674122) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)piperidine-1-carboximidamide
PubChem CID67674122
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name3-(2,2-dimethylpropyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CC(C)(C)C)C1
InChIInChI=1S/C11H23N3/c1-11(2,3)7-9-5-4-6-14(8-9)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyPMISSVRBSKTIMX-UHFFFAOYSA-N
XLogP2.03
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.03
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide (CID 67674122) is 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(CC(C)(C)C)C1.
What is the InChIKey of 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide?
The InChIKey is PMISSVRBSKTIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,3)7-9-5-4-6-14(8-9)10(12)13/h9H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide?
3-(2,2-dimethylpropyl)piperidine-1-carboximidamide has a molecular weight of 197.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)piperidine-1-carboximidamide is sourced from PubChem (CID 67674122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).