4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C10H19N3 — CID 89224328

IUPAC4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C10H19N3/c1-10(2,3)8-4-6-13(7-5-8)9(11)12/h4H,5-7H2,1-3H3,(H3,11,12)
InChIKeyFFMNSHSXABGTDS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds

About 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide

4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 89224328) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID89224328
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C10H19N3/c1-10(2,3)8-4-6-13(7-5-8)9(11)12/h4H,5-7H2,1-3H3,(H3,11,12)
InChIKeyFFMNSHSXABGTDS-UHFFFAOYSA-N
XLogP1.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.56
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 89224328) is 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is FFMNSHSXABGTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-10(2,3)8-4-6-13(7-5-8)9(11)12/h4H,5-7H2,1-3H3,(H3,11,12).
What are the key properties of 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 181.28 g/mol, XLogP of 1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 89224328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).