3,6-dihydro-2H-pyridine-1-carboximidamide

C6H11N3 — CID 19089264

IUPAC3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=CCC1
InChIInChI=1S/C6H11N3/c7-6(8)9-4-2-1-3-5-9/h1-2H,3-5H2,(H3,7,8)
InChIKeyHIGHKFQTHJHNOS-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.14
Rot. Bonds

About 3,6-dihydro-2H-pyridine-1-carboximidamide

3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 19089264) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID19089264
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CC=CCC1
InChIInChI=1S/C6H11N3/c7-6(8)9-4-2-1-3-5-9/h1-2H,3-5H2,(H3,7,8)
InChIKeyHIGHKFQTHJHNOS-UHFFFAOYSA-N
XLogP0.14
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.14
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 3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of 3,6-dihydro-2H-pyridine-1-carboximidamide (CID 19089264) is 3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for 3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for 3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N)N1CC=CCC1.
What is the InChIKey of 3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is HIGHKFQTHJHNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-6(8)9-4-2-1-3-5-9/h1-2H,3-5H2,(H3,7,8).
What are the key properties of 3,6-dihydro-2H-pyridine-1-carboximidamide?
3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 125.17 g/mol, XLogP of 0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 19089264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).