N-amino-N'-methyloxolane-2-carboximidamide

C6H13N3O — CID 61376946

IUPACN-amino-N'-methyloxolane-2-carboximidamide
SMILESC/N=C(\NN)C1CCCO1
InChIInChI=1S/C6H13N3O/c1-8-6(9-7)5-3-2-4-10-5/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyDQBPUWIXMUZTPJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.34
Rot. Bonds1

About N-amino-N'-methyloxolane-2-carboximidamide

N-amino-N'-methyloxolane-2-carboximidamide (PubChem CID 61376946) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-amino-N'-methyloxolane-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyloxolane-2-carboximidamide
PubChem CID61376946
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-amino-N'-methyloxolane-2-carboximidamide
SMILESC/N=C(\NN)C1CCCO1
InChIInChI=1S/C6H13N3O/c1-8-6(9-7)5-3-2-4-10-5/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyDQBPUWIXMUZTPJ-UHFFFAOYSA-N
XLogP-0.34
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.34
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'-methyloxolane-2-carboximidamide?
The IUPAC name of N-amino-N'-methyloxolane-2-carboximidamide (CID 61376946) is N-amino-N'-methyloxolane-2-carboximidamide.
What is the SMILES notation for N-amino-N'-methyloxolane-2-carboximidamide?
The canonical SMILES for N-amino-N'-methyloxolane-2-carboximidamide is C/N=C(\NN)C1CCCO1.
What is the InChIKey of N-amino-N'-methyloxolane-2-carboximidamide?
The InChIKey is DQBPUWIXMUZTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-8-6(9-7)5-3-2-4-10-5/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of N-amino-N'-methyloxolane-2-carboximidamide?
N-amino-N'-methyloxolane-2-carboximidamide has a molecular weight of 143.19 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyloxolane-2-carboximidamide is sourced from PubChem (CID 61376946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).