2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide

C13H27IN4O — CID 110958738

IUPAC2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NC1CCCCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-3-14-12(18)10-16-13(15-4-2)17-11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3,(H,14,18)(H2,15,16,17);1H
InChIKeyZVANSMVQTUMZOK-UHFFFAOYSA-N
MW382.29 g/mol
LogP1.63
Rot. Bonds5

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

2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (PubChem CID 110958738) has the molecular formula C13H27IN4O and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
PubChem CID110958738
Molecular FormulaC13H27IN4O
Molecular Weight382.29 g/mol
Exact Mass382.12
IUPAC Name2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCNC(=O)C/N=C(\NCC)NC1CCCCC1.I
InChIInChI=1S/C13H26N4O.HI/c1-3-14-12(18)10-16-13(15-4-2)17-11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3,(H,14,18)(H2,15,16,17);1H
InChIKeyZVANSMVQTUMZOK-UHFFFAOYSA-N
XLogP1.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.29
LogP ≤ 51.63
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
2-[[(cyclopentylamino)-hydrazinylmethylidene]amino]-N-ethylacetamide
CID 104883990
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111141508
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
N-cyclohexyl-2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]acetamide
CID 111141509
N-cyclohexyl-2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]acetamide;hydroiodide
CID 111919002
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
ethyl 4-[[N'-[2-(cyclohexylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329714
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (CID 110958738) is 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is CCNC(=O)C/N=C(\NCC)NC1CCCCC1.I.
What is the InChIKey of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The InChIKey is ZVANSMVQTUMZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.HI/c1-3-14-12(18)10-16-13(15-4-2)17-11-8-6-5-7-9-11;/h11H,3-10H2,1-2H3,(H,14,18)(H2,15,16,17);1H.
What are the key properties of 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide has a molecular weight of 382.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 110958738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).