4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

C14H21IN4O — CID 110914653

IUPAC4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(C/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C14H20N4O.HI/c1-18(2)13(19)11-5-3-10(4-6-11)9-16-14(15)17-12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H3,15,16,17);1H
InChIKeyBPHVQOZNEORLRU-UHFFFAOYSA-N
MW388.25 g/mol
LogP1.57
Rot. Bonds4

About 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide

4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (PubChem CID 110914653) has the molecular formula C14H21IN4O and a molecular weight of 388.25 g/mol. Its IUPAC name is 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.

Molecular Properties

Compound Name4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
PubChem CID110914653
Molecular FormulaC14H21IN4O
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC Name4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
SMILESCN(C)C(=O)c1ccc(C/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C14H20N4O.HI/c1-18(2)13(19)11-5-3-10(4-6-11)9-16-14(15)17-12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H3,15,16,17);1H
InChIKeyBPHVQOZNEORLRU-UHFFFAOYSA-N
XLogP1.57
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 51.57
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

4-[[[amino(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111041011
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194
4-[[[amino(butylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040921
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
4-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111040919
4-[[bis(dimethylamino)methylideneamino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111040962
4-[[[(cyclopropylamino)-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 110988661
2-[(4-cyanophenyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110911948
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
4-[[[[[3-(cyclohexylamino)-3-oxopropyl]amino]-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874748
1-cyclohexyl-2-[[4-(dimethylsulfamoyl)phenyl]methyl]guanidine
CID 111071863
4-[[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111870648

Frequently Asked Questions

What is the IUPAC name of 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The IUPAC name of 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide (CID 110914653) is 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide.
What is the SMILES notation for 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The canonical SMILES for 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is CN(C)C(=O)c1ccc(C/N=C(\N)NC2CC2)cc1.I.
What is the InChIKey of 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
The InChIKey is BPHVQOZNEORLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O.HI/c1-18(2)13(19)11-5-3-10(4-6-11)9-16-14(15)17-12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H3,15,16,17);1H.
What are the key properties of 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide?
4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide has a molecular weight of 388.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[amino-(cyclopropylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide is sourced from PubChem (CID 110914653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).