N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide

C8H17N3O — CID 104979367

IUPACN-amino-N'-ethyl-5-methyloxolane-3-carboximidamide
SMILESCC/N=C(\NN)C1COC(C)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(11-9)7-4-6(2)12-5-7/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyJEHQRPQUKVCZGA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.29
Rot. Bonds2

About N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide

N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide (PubChem CID 104979367) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-5-methyloxolane-3-carboximidamide
PubChem CID104979367
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-amino-N'-ethyl-5-methyloxolane-3-carboximidamide
SMILESCC/N=C(\NN)C1COC(C)C1
InChIInChI=1S/C8H17N3O/c1-3-10-8(11-9)7-4-6(2)12-5-7/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKeyJEHQRPQUKVCZGA-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
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'-ethyl-5-methyloxolane-3-carboximidamide?
The IUPAC name of N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide (CID 104979367) is N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide.
What is the SMILES notation for N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide?
The canonical SMILES for N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide is CC/N=C(\NN)C1COC(C)C1.
What is the InChIKey of N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide?
The InChIKey is JEHQRPQUKVCZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-10-8(11-9)7-4-6(2)12-5-7/h6-7H,3-5,9H2,1-2H3,(H,10,11).
What are the key properties of N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide?
N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide has a molecular weight of 171.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-5-methyloxolane-3-carboximidamide is sourced from PubChem (CID 104979367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).