2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide

C12H23N3O — CID 63176220

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H23N3O/c1-9(2)15-11(16)8-14-12(13)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyVQAKFQJLGSNKNE-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.45
Rot. Bonds4

About 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide

2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide (PubChem CID 63176220) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide
PubChem CID63176220
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C12H23N3O/c1-9(2)15-11(16)8-14-12(13)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyVQAKFQJLGSNKNE-UHFFFAOYSA-N
XLogP1.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.45
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-propan-2-ylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide (CID 63176220) is 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide?
The InChIKey is VQAKFQJLGSNKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)15-11(16)8-14-12(13)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-propan-2-ylacetamide has a molecular weight of 225.34 g/mol, XLogP of 1.45, 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-propan-2-ylacetamide is sourced from PubChem (CID 63176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).