2-amino-N'-benzyl-3-methoxypropanimidamide

C11H17N3O — CID 123324852

IUPAC2-amino-N'-benzyl-3-methoxypropanimidamide
SMILESCOCC(N)/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N3O/c1-15-8-10(12)11(13)14-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H2,13,14)
InChIKeyUWRUZWOWUBLLPJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.52
Rot. Bonds5

About 2-amino-N'-benzyl-3-methoxypropanimidamide

2-amino-N'-benzyl-3-methoxypropanimidamide (PubChem CID 123324852) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-N'-benzyl-3-methoxypropanimidamide.

Molecular Properties

Compound Name2-amino-N'-benzyl-3-methoxypropanimidamide
PubChem CID123324852
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-N'-benzyl-3-methoxypropanimidamide
SMILESCOCC(N)/C(N)=N/Cc1ccccc1
InChIInChI=1S/C11H17N3O/c1-15-8-10(12)11(13)14-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H2,13,14)
InChIKeyUWRUZWOWUBLLPJ-UHFFFAOYSA-N
XLogP0.52
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
N'-benzylpropanimidamide
CID 45122449
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2-benzyl-1-propan-2-yloxyguanidine
CID 130964833
2-amino-3-(2-phenylethoxy)propanamide
CID 114989411
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-amino-2-benzyl-3-(2-methoxyethyl)guanidine
CID 116511560
2-amino-N'-hydroxy-3-phenylpropanimidamide
CID 24972923
2-benzyl-1-propoxyguanidine
CID 130609795
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
N-benzyl-3-methoxy-3-methylbutan-2-imine
CID 163320945
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054295

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-benzyl-3-methoxypropanimidamide?
The IUPAC name of 2-amino-N'-benzyl-3-methoxypropanimidamide (CID 123324852) is 2-amino-N'-benzyl-3-methoxypropanimidamide.
What is the SMILES notation for 2-amino-N'-benzyl-3-methoxypropanimidamide?
The canonical SMILES for 2-amino-N'-benzyl-3-methoxypropanimidamide is COCC(N)/C(N)=N/Cc1ccccc1.
What is the InChIKey of 2-amino-N'-benzyl-3-methoxypropanimidamide?
The InChIKey is UWRUZWOWUBLLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-8-10(12)11(13)14-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3,(H2,13,14).
What are the key properties of 2-amino-N'-benzyl-3-methoxypropanimidamide?
2-amino-N'-benzyl-3-methoxypropanimidamide has a molecular weight of 207.28 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-benzyl-3-methoxypropanimidamide is sourced from PubChem (CID 123324852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).