3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide

C14H22N4O — CID 111058799

IUPAC3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C14H22N4O/c1-14(2,3)18-13(15)17-9-10-6-5-7-11(8-10)12(19)16-4/h5-8H,9H2,1-4H3,(H,16,19)(H3,15,17,18)
InChIKeyOHEUOPHULZKADO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.25
Rot. Bonds3

About 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide

3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111058799) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111058799
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C/N=C(\N)NC(C)(C)C)c1
InChIInChI=1S/C14H22N4O/c1-14(2,3)18-13(15)17-9-10-6-5-7-11(8-10)12(19)16-4/h5-8H,9H2,1-4H3,(H,16,19)(H3,15,17,18)
InChIKeyOHEUOPHULZKADO-UHFFFAOYSA-N
XLogP1.25
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.25
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

3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111058626
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058533
3-[[[(tert-butylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110964922
3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058801
3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110918655
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]acetamide
CID 111044874
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902
3-[[[amino-(2-methoxyanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058777
3-[[[amino-(2-phenylethylamino)methylidene]amino]methyl]-N-tert-butylbenzamide;hydroiodide
CID 111100466
3-[[[amino-(5,6,7,8-tetrahydronaphthalen-1-ylamino)methylidene]amino]methyl]-N-tert-butylbenzamide
CID 111721703
3-[[bis(dimethylamino)methylideneamino]methyl]-N-methylbenzamide
CID 111058827
N-[3-[[[amino-(tert-butylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111046750

Frequently Asked Questions

What is the IUPAC name of 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide (CID 111058799) is 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide is CNC(=O)c1cccc(C/N=C(\N)NC(C)(C)C)c1.
What is the InChIKey of 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is OHEUOPHULZKADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(2,3)18-13(15)17-9-10-6-5-7-11(8-10)12(19)16-4/h5-8H,9H2,1-4H3,(H,16,19)(H3,15,17,18).
What are the key properties of 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide?
3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 262.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111058799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).