2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide

C11H21N3O — CID 63175714

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)10(15)8-13-11(12)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyISAOILPEOVEAQR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.01
Rot. Bonds3

About 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide

2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 63175714) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide
PubChem CID63175714
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-14(2)10(15)8-13-11(12)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,12,13)
InChIKeyISAOILPEOVEAQR-UHFFFAOYSA-N
XLogP1.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
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,N-dimethylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide (CID 63175714) is 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is ISAOILPEOVEAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-14(2)10(15)8-13-11(12)9-6-4-3-5-7-9/h9H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino(cyclohexyl)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 63175714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).