2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C15H33IN4O2 — CID 110035328

IUPAC2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)CCOC.I
InChIInChI=1S/C15H32N4O2.HI/c1-7-9-16-14(17-11-13(20)19(4)5)18-12-15(2,3)8-10-21-6;/h7-12H2,1-6H3,(H2,16,17,18);1H
InChIKeyVUSDFSYPTWZRKY-UHFFFAOYSA-N
MW428.36 g/mol
LogP1.70
Rot. Bonds9

About 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110035328) has the molecular formula C15H33IN4O2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110035328
Molecular FormulaC15H33IN4O2
Molecular Weight428.36 g/mol
Exact Mass428.16
IUPAC Name2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)CCOC.I
InChIInChI=1S/C15H32N4O2.HI/c1-7-9-16-14(17-11-13(20)19(4)5)18-12-15(2,3)8-10-21-6;/h7-12H2,1-6H3,(H2,16,17,18);1H
InChIKeyVUSDFSYPTWZRKY-UHFFFAOYSA-N
XLogP1.70
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 51.70
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

2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033827
2-[[(3-ethoxypropylamino)-(3-methoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975876
2-[[(3-ethoxypropylamino)-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111607598
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
tert-butyl N-[3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111544502
2-[[(2,2-dimethylheptylamino)-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044918
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874
2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111607167
2-[[(2-ethylbutylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111544775
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
2-[[[[2-(4-bromophenyl)sulfanyl-2-methylpropyl]amino]-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111544622
2-[[(2-methoxyethylamino)-[2-(3-methylbutoxy)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111544849

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110035328) is 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)CCOC.I.
What is the InChIKey of 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is VUSDFSYPTWZRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2.HI/c1-7-9-16-14(17-11-13(20)19(4)5)18-12-15(2,3)8-10-21-6;/h7-12H2,1-6H3,(H2,16,17,18);1H.
What are the key properties of 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 428.36 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-methoxy-2,2-dimethylbutyl)amino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110035328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).