N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide

C12H17N3O — CID 62099773

IUPACN-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide
SMILESCOC(/C(=N/C1CC1)NN)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-16-11(9-5-3-2-4-6-9)12(15-13)14-10-7-8-10/h2-6,10-11H,7-8,13H2,1H3,(H,14,15)
InChIKeyGCDDQJNPWLGJNB-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.40
Rot. Bonds4

About N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide

N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide (PubChem CID 62099773) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide
PubChem CID62099773
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide
SMILESCOC(/C(=N/C1CC1)NN)c1ccccc1
InChIInChI=1S/C12H17N3O/c1-16-11(9-5-3-2-4-6-9)12(15-13)14-10-7-8-10/h2-6,10-11H,7-8,13H2,1H3,(H,14,15)
InChIKeyGCDDQJNPWLGJNB-UHFFFAOYSA-N
XLogP1.40
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.40
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'-cyclopropyl-2-methoxy-2-phenylethanimidamide?
The IUPAC name of N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide (CID 62099773) is N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide is COC(/C(=N/C1CC1)NN)c1ccccc1.
What is the InChIKey of N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide?
The InChIKey is GCDDQJNPWLGJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-16-11(9-5-3-2-4-6-9)12(15-13)14-10-7-8-10/h2-6,10-11H,7-8,13H2,1H3,(H,14,15).
What are the key properties of N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide?
N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide has a molecular weight of 219.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-2-methoxy-2-phenylethanimidamide is sourced from PubChem (CID 62099773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).