N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide

C11H15N3O — CID 63590190

IUPACN-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESC/N=C(\NN)C1COc2ccccc2C1
InChIInChI=1S/C11H15N3O/c1-13-11(14-12)9-6-8-4-2-3-5-10(8)15-7-9/h2-5,9H,6-7,12H2,1H3,(H,13,14)
InChIKeyKAIPIGSBJOSHLV-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.73
Rot. Bonds1

About N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide

N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide (PubChem CID 63590190) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide
PubChem CID63590190
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESC/N=C(\NN)C1COc2ccccc2C1
InChIInChI=1S/C11H15N3O/c1-13-11(14-12)9-6-8-4-2-3-5-10(8)15-7-9/h2-5,9H,6-7,12H2,1H3,(H,13,14)
InChIKeyKAIPIGSBJOSHLV-UHFFFAOYSA-N
XLogP0.73
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The IUPAC name of N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide (CID 63590190) is N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide is C/N=C(\NN)C1COc2ccccc2C1.
What is the InChIKey of N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide?
The InChIKey is KAIPIGSBJOSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-11(14-12)9-6-8-4-2-3-5-10(8)15-7-9/h2-5,9H,6-7,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide?
N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide has a molecular weight of 205.26 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide is sourced from PubChem (CID 63590190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).