N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide

C9H19N3O — CID 103940514

IUPACN-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide
SMILESCC(C)(C)OC/C(=N\C1CC1)NN
InChIInChI=1S/C9H19N3O/c1-9(2,3)13-6-8(12-10)11-7-4-5-7/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyAOQSSJRLIARXDU-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.83
Rot. Bonds3

About N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide

N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide (PubChem CID 103940514) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide
PubChem CID103940514
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide
SMILESCC(C)(C)OC/C(=N\C1CC1)NN
InChIInChI=1S/C9H19N3O/c1-9(2,3)13-6-8(12-10)11-7-4-5-7/h7H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyAOQSSJRLIARXDU-UHFFFAOYSA-N
XLogP0.83
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.83
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-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The IUPAC name of N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide (CID 103940514) is N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide is CC(C)(C)OC/C(=N\C1CC1)NN.
What is the InChIKey of N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide?
The InChIKey is AOQSSJRLIARXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(2,3)13-6-8(12-10)11-7-4-5-7/h7H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide?
N-amino-N'-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.83, 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-[(2-methylpropan-2-yl)oxy]ethanimidamide is sourced from PubChem (CID 103940514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).