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

C11H25IN4O — CID 111151737

IUPAC2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCCCN/C(=N/CC(=O)NCC)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-4-7-8-14-11(13-6-3)15-9-10(16)12-5-2;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H
InChIKeyBWVAMYSIWKWFBY-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.10
Rot. Bonds7

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

2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (PubChem CID 111151737) has the molecular formula C11H25IN4O and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
PubChem CID111151737
Molecular FormulaC11H25IN4O
Molecular Weight356.25 g/mol
Exact Mass356.11
IUPAC Name2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
SMILESCCCCN/C(=N/CC(=O)NCC)NCC.I
InChIInChI=1S/C11H24N4O.HI/c1-4-7-8-14-11(13-6-3)15-9-10(16)12-5-2;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H
InChIKeyBWVAMYSIWKWFBY-UHFFFAOYSA-N
XLogP1.10
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
2-[[ethylamino-(pentylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111130397
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
CID 111579841
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111324671
N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
CID 109471873
tert-butyl N-[2-[[N-ethyl-N'-[2-(ethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884002
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111398236
2-[[amino-(hexylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032059
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
1-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentylguanidine;hydroiodide
CID 111128816

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide (CID 111151737) is 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is CCCCN/C(=N/CC(=O)NCC)NCC.I.
What is the InChIKey of 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
The InChIKey is BWVAMYSIWKWFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O.HI/c1-4-7-8-14-11(13-6-3)15-9-10(16)12-5-2;/h4-9H2,1-3H3,(H,12,16)(H2,13,14,15);1H.
What are the key properties of 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide?
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide has a molecular weight of 356.25 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111151737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).