5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

C10H19N3 — CID 89354741

IUPAC5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC=C(CC(C)C)C1
InChIInChI=1S/C10H19N3/c1-8(2)6-9-4-3-5-13(7-9)10(11)12/h4,8H,3,5-7H2,1-2H3,(H3,11,12)
InChIKeyJRTAVQJMRAEOFI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.56
Rot. Bonds2

About 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide

5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 89354741) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID89354741
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC=C(CC(C)C)C1
InChIInChI=1S/C10H19N3/c1-8(2)6-9-4-3-5-13(7-9)10(11)12/h4,8H,3,5-7H2,1-2H3,(H3,11,12)
InChIKeyJRTAVQJMRAEOFI-UHFFFAOYSA-N
XLogP1.56
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
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'}

Analyze 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 89354741) is 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is [H]/N=C(\N)N1CCC=C(CC(C)C)C1.
What is the InChIKey of 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is JRTAVQJMRAEOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)6-9-4-3-5-13(7-9)10(11)12/h4,8H,3,5-7H2,1-2H3,(H3,11,12).
What are the key properties of 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide?
5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 181.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 89354741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).