N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide

C14H16N2O — CID 63177301

IUPACN-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(C)Cc1ccoc1C
InChIInChI=1S/C14H16N2O/c1-11-13(8-9-17-11)10-16(2)14(15)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3/b15-14-
InChIKeyYYLDMWJOBOITOF-PFONDFGASA-N
MW228.30 g/mol
LogP3.05
Rot. Bonds3

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

N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide (PubChem CID 63177301) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide
PubChem CID63177301
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(/c1ccccc1)N(C)Cc1ccoc1C
InChIInChI=1S/C14H16N2O/c1-11-13(8-9-17-11)10-16(2)14(15)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3/b15-14-
InChIKeyYYLDMWJOBOITOF-PFONDFGASA-N
XLogP3.05
TPSA40.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.05
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 N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide?
The IUPAC name of N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide (CID 63177301) is N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide?
The canonical SMILES for N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide is [H]/N=C(/c1ccccc1)N(C)Cc1ccoc1C.
What is the InChIKey of N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide?
The InChIKey is YYLDMWJOBOITOF-PFONDFGASA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-13(8-9-17-11)10-16(2)14(15)12-6-4-3-5-7-12/h3-9,15H,10H2,1-2H3/b15-14-.
What are the key properties of N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide?
N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide has a molecular weight of 228.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenecarboximidamide is sourced from PubChem (CID 63177301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).