2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide

C17H27IN4O — CID 111082042

IUPAC2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)NCC1CCC1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-21(13-15-7-4-3-5-8-15)16(22)12-20-17(18)19-11-14-9-6-10-14;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H3,18,19,20);1H
InChIKeyQUOOJCPGBBUKRQ-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.36
Rot. Bonds7

About 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide

2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide (PubChem CID 111082042) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
PubChem CID111082042
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
SMILESCCN(Cc1ccccc1)C(=O)C/N=C(\N)NCC1CCC1.I
InChIInChI=1S/C17H26N4O.HI/c1-2-21(13-15-7-4-3-5-8-15)16(22)12-20-17(18)19-11-14-9-6-10-14;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H3,18,19,20);1H
InChIKeyQUOOJCPGBBUKRQ-UHFFFAOYSA-N
XLogP2.36
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.36
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(hexylamino)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082009
1-benzyl-3-(cyclopentylmethyl)-1-ethylurea
CID 108902577
ethyl 4-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111082035
2-[[amino-(2-methoxyanilino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide
CID 111081982
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-benzyl-N-ethylacetamide
CID 110030596
N-benzyl-2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110957199
N-[2-[[N'-[2-[benzyl(ethyl)amino]-2-oxoethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927262
2-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]-N-benzyl-N-ethylacetamide
CID 111082037
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-(3-ethylphenyl)acetamide
CID 111093905
3-amino-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119750884
1-(cyclobutylmethyl)-2-(2-hydroxy-3-phenylpropyl)guanidine
CID 111099830
1,1-dibenzyl-3-(cyclohexylmethyl)urea
CID 108902903

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide (CID 111082042) is 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide is CCN(Cc1ccccc1)C(=O)C/N=C(\N)NCC1CCC1.I.
What is the InChIKey of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
The InChIKey is QUOOJCPGBBUKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-2-21(13-15-7-4-3-5-8-15)16(22)12-20-17(18)19-11-14-9-6-10-14;/h3-5,7-8,14H,2,6,9-13H2,1H3,(H3,18,19,20);1H.
What are the key properties of 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide?
2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(cyclobutylmethylamino)methylidene]amino]-N-benzyl-N-ethylacetamide;hydroiodide is sourced from PubChem (CID 111082042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).