3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide

C12H25IN4O — CID 110031724

IUPAC3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
SMILESCCNC(=O)C(C)(C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C12H24N4O.HI/c1-5-14-10(17)12(2,3)8-15-11(13)16(4)9-6-7-9;/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,17);1H
InChIKeyUIMAEATVGFDNMW-UHFFFAOYSA-N
MW368.26 g/mol
LogP1.18
Rot. Bonds5

About 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide

3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide (PubChem CID 110031724) has the molecular formula C12H25IN4O and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
PubChem CID110031724
Molecular FormulaC12H25IN4O
Molecular Weight368.26 g/mol
Exact Mass368.11
IUPAC Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
SMILESCCNC(=O)C(C)(C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C12H24N4O.HI/c1-5-14-10(17)12(2,3)8-15-11(13)16(4)9-6-7-9;/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,17);1H
InChIKeyUIMAEATVGFDNMW-UHFFFAOYSA-N
XLogP1.18
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 51.18
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'}

Analyze 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide (CID 110031724) is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide is CCNC(=O)C(C)(C)C/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
The InChIKey is UIMAEATVGFDNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O.HI/c1-5-14-10(17)12(2,3)8-15-11(13)16(4)9-6-7-9;/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,17);1H.
What are the key properties of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide?
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide has a molecular weight of 368.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide is sourced from PubChem (CID 110031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).