3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide

C12H17N3O — CID 123873719

IUPAC3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(C)c1C(OC)=C(C)C
InChIInChI=1S/C12H17N3O/c1-7(2)11(16-4)10-8(3)15-6-5-9(10)12(13)14/h5-6H,1-4H3,(H3,13,14)
InChIKeySRCWAHAQUSTUSC-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.07
Rot. Bonds3

About 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide

3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide (PubChem CID 123873719) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide
PubChem CID123873719
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(C)c1C(OC)=C(C)C
InChIInChI=1S/C12H17N3O/c1-7(2)11(16-4)10-8(3)15-6-5-9(10)12(13)14/h5-6H,1-4H3,(H3,13,14)
InChIKeySRCWAHAQUSTUSC-UHFFFAOYSA-N
XLogP2.07
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide?
The IUPAC name of 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide (CID 123873719) is 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide.
What is the SMILES notation for 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide?
The canonical SMILES for 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(C)c1C(OC)=C(C)C.
What is the InChIKey of 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide?
The InChIKey is SRCWAHAQUSTUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-7(2)11(16-4)10-8(3)15-6-5-9(10)12(13)14/h5-6H,1-4H3,(H3,13,14).
What are the key properties of 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide?
3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2-methylprop-1-enyl)-2-methylpyridine-4-carboximidamide is sourced from PubChem (CID 123873719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).