3-(3,3-dimethylbutyl)piperidine-1-carboximidamide

C12H25N3 — CID 159543302

IUPAC3-(3,3-dimethylbutyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CCC(C)(C)C)C1
InChIInChI=1S/C12H25N3/c1-12(2,3)7-6-10-5-4-8-15(9-10)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMEMHJXDXQQLEPS-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.42
Rot. Bonds2

About 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide

3-(3,3-dimethylbutyl)piperidine-1-carboximidamide (PubChem CID 159543302) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)piperidine-1-carboximidamide
PubChem CID159543302
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name3-(3,3-dimethylbutyl)piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC(CCC(C)(C)C)C1
InChIInChI=1S/C12H25N3/c1-12(2,3)7-6-10-5-4-8-15(9-10)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMEMHJXDXQQLEPS-UHFFFAOYSA-N
XLogP2.42
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.42
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-(3,3-dimethylbutyl)piperidine-1-carboximidamide?
The IUPAC name of 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide (CID 159543302) is 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide.
What is the SMILES notation for 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide?
The canonical SMILES for 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide is [H]/N=C(\N)N1CCCC(CCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide?
The InChIKey is MEMHJXDXQQLEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-12(2,3)7-6-10-5-4-8-15(9-10)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide?
3-(3,3-dimethylbutyl)piperidine-1-carboximidamide has a molecular weight of 211.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)piperidine-1-carboximidamide is sourced from PubChem (CID 159543302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).