N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide

C13H19N3O2 — CID 55213948

IUPACN-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESCOCC/N=C(\NN)C1COc2ccccc2C1
InChIInChI=1S/C13H19N3O2/c1-17-7-6-15-13(16-14)11-8-10-4-2-3-5-12(10)18-9-11/h2-5,11H,6-9,14H2,1H3,(H,15,16)
InChIKeyNVKBNQBTRWASBV-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.75
Rot. Bonds4

About N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide

N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide (PubChem CID 55213948) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide
PubChem CID55213948
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide
SMILESCOCC/N=C(\NN)C1COc2ccccc2C1
InChIInChI=1S/C13H19N3O2/c1-17-7-6-15-13(16-14)11-8-10-4-2-3-5-12(10)18-9-11/h2-5,11H,6-9,14H2,1H3,(H,15,16)
InChIKeyNVKBNQBTRWASBV-UHFFFAOYSA-N
XLogP0.75
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N'-methyl-3,4-dihydro-2H-chromene-3-carboximidamide
CID 63590190
N-amino-N'-phenyl-3,4-dihydro-2H-chromene-3-carboximidamide
CID 63590723
propyl 3,4-dihydro-2H-chromene-3-carboxylate
CID 60731106
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
N-(2-bromo-3-methoxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 113274555
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
N-(4-chloro-1-methoxybutan-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106155714
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
methyl 5-(3,4-dihydro-2H-chromene-3-carbonyl)furan-2-carboxylate
CID 106946569

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide (CID 55213948) is N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide is COCC/N=C(\NN)C1COc2ccccc2C1.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide?
The InChIKey is NVKBNQBTRWASBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-17-7-6-15-13(16-14)11-8-10-4-2-3-5-12(10)18-9-11/h2-5,11H,6-9,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide?
N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide has a molecular weight of 249.31 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)-3,4-dihydro-2H-chromene-3-carboximidamide is sourced from PubChem (CID 55213948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).