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

C11H22N4O — CID 62364297

IUPAC2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H22N4O/c1-2-13-10(16)8-14-11(12)15-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeySFWNABIOSRCBBA-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.36
Rot. Bonds4

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

2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide (PubChem CID 62364297) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
PubChem CID62364297
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\N)NC1CCCCC1
InChIInChI=1S/C11H22N4O/c1-2-13-10(16)8-14-11(12)15-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15)
InChIKeySFWNABIOSRCBBA-UHFFFAOYSA-N
XLogP0.36
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
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-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-[[amino-(cyclopentylamino)methylidene]amino]-N-propan-2-ylacetamide;hydroiodide
CID 119117618
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
2-[[amino-(cyclohexylamino)methylidene]amino]-N,N-diethylacetamide
CID 112689629
1-cyclohexyl-2-ethylguanidine
CID 18727697
2-[[amino(cyclohexyl)methylidene]amino]-N-ethylacetamide
CID 63176099
2-[[amino-(2-methylprop-2-enylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111090889
2-[[amino-(hexylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090832
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-ethylacetamide
CID 111032094
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide (CID 62364297) is 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\N)NC1CCCCC1.
What is the InChIKey of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide?
The InChIKey is SFWNABIOSRCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-13-10(16)8-14-11(12)15-9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H,13,16)(H3,12,14,15).
What are the key properties of 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide?
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 62364297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).