2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide

C12H21N3O — CID 63175603

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide
SMILESN/C(=N\CC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C12H21N3O/c13-12(9-4-2-1-3-5-9)14-8-11(16)15-10-6-7-10/h9-10H,1-8H2,(H2,13,14)(H,15,16)
InChIKeyGTFHIOUSZJETDC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.20
Rot. Bonds4

About 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide

2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 63175603) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide
PubChem CID63175603
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide
SMILESN/C(=N\CC(=O)NC1CC1)C1CCCCC1
InChIInChI=1S/C12H21N3O/c13-12(9-4-2-1-3-5-9)14-8-11(16)15-10-6-7-10/h9-10H,1-8H2,(H2,13,14)(H,15,16)
InChIKeyGTFHIOUSZJETDC-UHFFFAOYSA-N
XLogP1.20
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide (CID 63175603) is 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide is N/C(=N\CC(=O)NC1CC1)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide?
The InChIKey is GTFHIOUSZJETDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-12(9-4-2-1-3-5-9)14-8-11(16)15-10-6-7-10/h9-10H,1-8H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclohexyl)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 63175603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).