N'-(cycloheptylideneamino)-N-cyclopropyloxamide

C12H19N3O2 — CID 9352150

IUPACN'-(cycloheptylideneamino)-N-cyclopropyloxamide
SMILESO=C(NN=C1CCCCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O2/c16-11(13-9-7-8-9)12(17)15-14-10-5-3-1-2-4-6-10/h9H,1-8H2,(H,13,16)(H,15,17)
InChIKeyBYNSQLCORGAAMU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.09
Rot. Bonds2

About N'-(cycloheptylideneamino)-N-cyclopropyloxamide

N'-(cycloheptylideneamino)-N-cyclopropyloxamide (PubChem CID 9352150) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N'-(cycloheptylideneamino)-N-cyclopropyloxamide.

Molecular Properties

Compound NameN'-(cycloheptylideneamino)-N-cyclopropyloxamide
PubChem CID9352150
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN'-(cycloheptylideneamino)-N-cyclopropyloxamide
SMILESO=C(NN=C1CCCCCC1)C(=O)NC1CC1
InChIInChI=1S/C12H19N3O2/c16-11(13-9-7-8-9)12(17)15-14-10-5-3-1-2-4-6-10/h9H,1-8H2,(H,13,16)(H,15,17)
InChIKeyBYNSQLCORGAAMU-UHFFFAOYSA-N
XLogP1.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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'-(cycloheptylideneamino)-N-cyclopropyloxamide?
The IUPAC name of N'-(cycloheptylideneamino)-N-cyclopropyloxamide (CID 9352150) is N'-(cycloheptylideneamino)-N-cyclopropyloxamide.
What is the SMILES notation for N'-(cycloheptylideneamino)-N-cyclopropyloxamide?
The canonical SMILES for N'-(cycloheptylideneamino)-N-cyclopropyloxamide is O=C(NN=C1CCCCCC1)C(=O)NC1CC1.
What is the InChIKey of N'-(cycloheptylideneamino)-N-cyclopropyloxamide?
The InChIKey is BYNSQLCORGAAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11(13-9-7-8-9)12(17)15-14-10-5-3-1-2-4-6-10/h9H,1-8H2,(H,13,16)(H,15,17).
What are the key properties of N'-(cycloheptylideneamino)-N-cyclopropyloxamide?
N'-(cycloheptylideneamino)-N-cyclopropyloxamide has a molecular weight of 237.30 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cycloheptylideneamino)-N-cyclopropyloxamide is sourced from PubChem (CID 9352150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).