3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide

C17H27IN4O2 — CID 111100464

IUPAC3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
SMILESCC(C)(C)NC(=O)c1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C17H26N4O2.HI/c1-17(2,3)20-15(22)14-6-4-5-13(11-14)12-19-16(18)21-7-9-23-10-8-21;/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19)(H,20,22);1H
InChIKeyICDZOAJTSNJPTJ-UHFFFAOYSA-N
MW446.33 g/mol
LogP1.98
Rot. Bonds3

About 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide

3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide (PubChem CID 111100464) has the molecular formula C17H27IN4O2 and a molecular weight of 446.33 g/mol. Its IUPAC name is 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide.

Molecular Properties

Compound Name3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
PubChem CID111100464
Molecular FormulaC17H27IN4O2
Molecular Weight446.33 g/mol
Exact Mass446.12
IUPAC Name3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
SMILESCC(C)(C)NC(=O)c1cccc(C/N=C(\N)N2CCOCC2)c1.I
InChIInChI=1S/C17H26N4O2.HI/c1-17(2,3)20-15(22)14-6-4-5-13(11-14)12-19-16(18)21-7-9-23-10-8-21;/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19)(H,20,22);1H
InChIKeyICDZOAJTSNJPTJ-UHFFFAOYSA-N
XLogP1.98
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111044863
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 75532942
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100466
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058799
tert-butyl 4-[N'-[[3-(propylcarbamoyl)phenyl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111058670
methyl 4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]benzoate
CID 111024014
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058533
N-[3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]cyclopentanecarboxamide
CID 111075141
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040924
N'-[[3-(2-oxoazetidin-1-yl)phenyl]methyl]morpholine-4-carboximidamide
CID 120728055
4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111070775

Frequently Asked Questions

What is the IUPAC name of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide?
The IUPAC name of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide (CID 111100464) is 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide.
What is the SMILES notation for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide?
The canonical SMILES for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide is CC(C)(C)NC(=O)c1cccc(C/N=C(\N)N2CCOCC2)c1.I.
What is the InChIKey of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide?
The InChIKey is ICDZOAJTSNJPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.HI/c1-17(2,3)20-15(22)14-6-4-5-13(11-14)12-19-16(18)21-7-9-23-10-8-21;/h4-6,11H,7-10,12H2,1-3H3,(H2,18,19)(H,20,22);1H.
What are the key properties of 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide?
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide has a molecular weight of 446.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide is sourced from PubChem (CID 111100464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).