N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide

C9H17N3O — CID 65159785

IUPACN-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide
SMILESNN/C(CC1CCCO1)=N\C1CC1
InChIInChI=1S/C9H17N3O/c10-12-9(11-7-3-4-7)6-8-2-1-5-13-8/h7-8H,1-6,10H2,(H,11,12)
InChIKeyPZWOPUQXIZZSOY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.58
Rot. Bonds3

About N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide

N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide (PubChem CID 65159785) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide
PubChem CID65159785
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide
SMILESNN/C(CC1CCCO1)=N\C1CC1
InChIInChI=1S/C9H17N3O/c10-12-9(11-7-3-4-7)6-8-2-1-5-13-8/h7-8H,1-6,10H2,(H,11,12)
InChIKeyPZWOPUQXIZZSOY-UHFFFAOYSA-N
XLogP0.58
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.58
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-(oxolan-2-yl)ethanimidamide?
The IUPAC name of N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide (CID 65159785) is N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide is NN/C(CC1CCCO1)=N\C1CC1.
What is the InChIKey of N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide?
The InChIKey is PZWOPUQXIZZSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-12-9(11-7-3-4-7)6-8-2-1-5-13-8/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide?
N-amino-N'-cyclopropyl-2-(oxolan-2-yl)ethanimidamide has a molecular weight of 183.25 g/mol, XLogP of 0.58, 3 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-(oxolan-2-yl)ethanimidamide is sourced from PubChem (CID 65159785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).