3-propan-2-ylpyridine-2-carboximidamide

C9H13N3 — CID 131699759

IUPAC3-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1C(C)C
InChIInChI=1S/C9H13N3/c1-6(2)7-4-3-5-12-8(7)9(10)11/h3-6H,1-2H3,(H3,10,11)
InChIKeyJTJPCRMXFHNLNB-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.49
Rot. Bonds2

About 3-propan-2-ylpyridine-2-carboximidamide

3-propan-2-ylpyridine-2-carboximidamide (PubChem CID 131699759) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-propan-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound Name3-propan-2-ylpyridine-2-carboximidamide
PubChem CID131699759
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-propan-2-ylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1C(C)C
InChIInChI=1S/C9H13N3/c1-6(2)7-4-3-5-12-8(7)9(10)11/h3-6H,1-2H3,(H3,10,11)
InChIKeyJTJPCRMXFHNLNB-UHFFFAOYSA-N
XLogP1.49
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-propan-2-ylpyridine-2-carboximidamide?
The IUPAC name of 3-propan-2-ylpyridine-2-carboximidamide (CID 131699759) is 3-propan-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for 3-propan-2-ylpyridine-2-carboximidamide?
The canonical SMILES for 3-propan-2-ylpyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1C(C)C.
What is the InChIKey of 3-propan-2-ylpyridine-2-carboximidamide?
The InChIKey is JTJPCRMXFHNLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6(2)7-4-3-5-12-8(7)9(10)11/h3-6H,1-2H3,(H3,10,11).
What are the key properties of 3-propan-2-ylpyridine-2-carboximidamide?
3-propan-2-ylpyridine-2-carboximidamide has a molecular weight of 163.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 131699759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).