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

C11H21N3O — CID 63176099

IUPAC2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-2-13-10(15)8-14-11(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyAEJAUKRXHIGLQB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.06
Rot. Bonds4

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

2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide (PubChem CID 63176099) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
PubChem CID63176099
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)C1CCCCC1
InChIInChI=1S/C11H21N3O/c1-2-13-10(15)8-14-11(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15)
InChIKeyAEJAUKRXHIGLQB-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.06
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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Related Compounds

2-[[amino(cyclohexyl)methylidene]amino]-N-tert-butylacetamide
CID 113293325
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
3-[[amino(cyclohexyl)methylidene]amino]-N-propylpropanamide
CID 63177883
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
2-[[amino(cyclopropyl)methylidene]amino]-N-cyclopropylacetamide
CID 63175546
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
2-[(2-cyclohexyl-2-oxoethyl)-ethylamino]-N-ethylacetamide
CID 104750581
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760

Frequently Asked Questions

What is the IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide (CID 63176099) is 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\N)C1CCCCC1.
What is the InChIKey of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide?
The InChIKey is AEJAUKRXHIGLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-13-10(15)8-14-11(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide?
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.06, 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-ethylacetamide is sourced from PubChem (CID 63176099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).