3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide

C10H23IN4O — CID 111072590

IUPAC3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide
SMILESCN(C)C(=NCC(C)(C)C(N)=O)N(C)C.I
InChIInChI=1S/C10H22N4O.HI/c1-10(2,8(11)15)7-12-9(13(3)4)14(5)6;/h7H2,1-6H3,(H2,11,15);1H
InChIKeySRULSBZLDFTDEC-UHFFFAOYSA-N
MW342.23 g/mol
LogP0.60
Rot. Bonds3

About 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide

3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide (PubChem CID 111072590) has the molecular formula C10H23IN4O and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide
PubChem CID111072590
Molecular FormulaC10H23IN4O
Molecular Weight342.23 g/mol
Exact Mass342.09
IUPAC Name3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide
SMILESCN(C)C(=NCC(C)(C)C(N)=O)N(C)C.I
InChIInChI=1S/C10H22N4O.HI/c1-10(2,8(11)15)7-12-9(13(3)4)14(5)6;/h7H2,1-6H3,(H2,11,15);1H
InChIKeySRULSBZLDFTDEC-UHFFFAOYSA-N
XLogP0.60
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
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

3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
3-[(1-amino-2-methylpropylidene)amino]-2,2-dimethylpropanamide
CID 106280324
2-[2-(dimethylamino)-2-methylpropyl]-1,1,3,3-tetramethylguanidine
CID 111028726
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
3-[[amino-(2-methylpropylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 103646370
3-[[amino-(butan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110920182
tert-butyl N-[3-[[bis(dimethylamino)methylideneamino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111757918
3-[[[(4-chlorophenyl)methyl-methylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111293928
3-[[ethylamino-(propan-2-ylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111124041
3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111344172
2-(2,2-dimethyl-3-phenylpropyl)-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111815533
3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492

Frequently Asked Questions

What is the IUPAC name of 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide (CID 111072590) is 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide is CN(C)C(=NCC(C)(C)C(N)=O)N(C)C.I.
What is the InChIKey of 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is SRULSBZLDFTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O.HI/c1-10(2,8(11)15)7-12-9(13(3)4)14(5)6;/h7H2,1-6H3,(H2,11,15);1H.
What are the key properties of 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide?
3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 342.23 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(dimethylamino)methylideneamino]-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 111072590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).