2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide

C10H16N2O — CID 130597810

IUPAC2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
SMILESCc1ccoc1C/N=C(/N)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10(11)12-6-9-8(3)4-5-13-9/h4-5,7H,6H2,1-3H3,(H2,11,12)
InChIKeyJIIYNKFSCWDMBP-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide

2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide (PubChem CID 130597810) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
PubChem CID130597810
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide
SMILESCc1ccoc1C/N=C(/N)C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10(11)12-6-9-8(3)4-5-13-9/h4-5,7H,6H2,1-3H3,(H2,11,12)
InChIKeyJIIYNKFSCWDMBP-UHFFFAOYSA-N
XLogP2.10
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
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 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide?
The IUPAC name of 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide (CID 130597810) is 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide.
What is the SMILES notation for 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide?
The canonical SMILES for 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide is Cc1ccoc1C/N=C(/N)C(C)C.
What is the InChIKey of 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide?
The InChIKey is JIIYNKFSCWDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10(11)12-6-9-8(3)4-5-13-9/h4-5,7H,6H2,1-3H3,(H2,11,12).
What are the key properties of 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide?
2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide has a molecular weight of 180.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[(3-methylfuran-2-yl)methyl]propanimidamide is sourced from PubChem (CID 130597810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).