N-amino-N'-ethyloxane-2-carboximidamide

C8H17N3O — CID 62213758

IUPACN-amino-N'-ethyloxane-2-carboximidamide
SMILESCC/N=C(\NN)C1CCCCO1
InChIInChI=1S/C8H17N3O/c1-2-10-8(11-9)7-5-3-4-6-12-7/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyGYROPLJRCLBYFI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.44
Rot. Bonds2

About N-amino-N'-ethyloxane-2-carboximidamide

N-amino-N'-ethyloxane-2-carboximidamide (PubChem CID 62213758) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-amino-N'-ethyloxane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyloxane-2-carboximidamide
PubChem CID62213758
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-amino-N'-ethyloxane-2-carboximidamide
SMILESCC/N=C(\NN)C1CCCCO1
InChIInChI=1S/C8H17N3O/c1-2-10-8(11-9)7-5-3-4-6-12-7/h7H,2-6,9H2,1H3,(H,10,11)
InChIKeyGYROPLJRCLBYFI-UHFFFAOYSA-N
XLogP0.44
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.44
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'}

Analyze N-amino-N'-ethyloxane-2-carboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyloxane-2-carboximidamide?
The IUPAC name of N-amino-N'-ethyloxane-2-carboximidamide (CID 62213758) is N-amino-N'-ethyloxane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyloxane-2-carboximidamide?
The canonical SMILES for N-amino-N'-ethyloxane-2-carboximidamide is CC/N=C(\NN)C1CCCCO1.
What is the InChIKey of N-amino-N'-ethyloxane-2-carboximidamide?
The InChIKey is GYROPLJRCLBYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-8(11-9)7-5-3-4-6-12-7/h7H,2-6,9H2,1H3,(H,10,11).
What are the key properties of N-amino-N'-ethyloxane-2-carboximidamide?
N-amino-N'-ethyloxane-2-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyloxane-2-carboximidamide is sourced from PubChem (CID 62213758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).