1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide

C10H13N3 — CID 166815673

IUPAC1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccc(C)nc2)CC1
InChIInChI=1S/C10H13N3/c1-7-2-3-8(6-13-7)10(4-5-10)9(11)12/h2-3,6H,4-5H2,1H3,(H3,11,12)
InChIKeyLPYLUKNKWWLLKK-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.36
Rot. Bonds2

About 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide

1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide (PubChem CID 166815673) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide
PubChem CID166815673
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)C1(c2ccc(C)nc2)CC1
InChIInChI=1S/C10H13N3/c1-7-2-3-8(6-13-7)10(4-5-10)9(11)12/h2-3,6H,4-5H2,1H3,(H3,11,12)
InChIKeyLPYLUKNKWWLLKK-UHFFFAOYSA-N
XLogP1.36
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.36
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 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide?
The IUPAC name of 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide (CID 166815673) is 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide is [H]/N=C(\N)C1(c2ccc(C)nc2)CC1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide?
The InChIKey is LPYLUKNKWWLLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-2-3-8(6-13-7)10(4-5-10)9(11)12/h2-3,6H,4-5H2,1H3,(H3,11,12).
What are the key properties of 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide?
1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide has a molecular weight of 175.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 166815673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).