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

C11H23IN4O — CID 110031718

IUPAC3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
SMILESCNC(=O)C(C)(C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C11H22N4O.HI/c1-11(2,9(16)13-3)7-14-10(12)15(4)8-5-6-8;/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16);1H
InChIKeyUZMLHEUHCSZYLH-UHFFFAOYSA-N
MW354.24 g/mol
LogP0.79
Rot. Bonds4

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

3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide (PubChem CID 110031718) has the molecular formula C11H23IN4O and a molecular weight of 354.24 g/mol. Its IUPAC name is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide.

Molecular Properties

Compound Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
PubChem CID110031718
Molecular FormulaC11H23IN4O
Molecular Weight354.24 g/mol
Exact Mass354.09
IUPAC Name3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide
SMILESCNC(=O)C(C)(C)C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C11H22N4O.HI/c1-11(2,9(16)13-3)7-14-10(12)15(4)8-5-6-8;/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16);1H
InChIKeyUZMLHEUHCSZYLH-UHFFFAOYSA-N
XLogP0.79
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 50.79
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

3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-ethyl-2,2-dimethylpropanamide;hydroiodide
CID 110031724
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 110030278
3-[[amino(ethylamino)methylidene]amino]-N,2,2-trimethylpropanamide
CID 103822795
4-[[[amino-[cyclopropyl(methyl)amino]methylidene]amino]methyl]-N-methylbenzamide
CID 110029864
2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-prop-2-enylacetamide
CID 110031910
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
2-[2-(2-bromophenyl)-2-methylpropyl]-1-cyclopropyl-1-methylguanidine
CID 110031727
1-methyl-1-[4-(methylamino)cyclohexyl]urea
CID 79123173
4-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N-cyclopropylbutanamide
CID 110030235
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755

Frequently Asked Questions

What is the IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
The IUPAC name of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide (CID 110031718) is 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide.
What is the SMILES notation for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
The canonical SMILES for 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide is CNC(=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,2,2-trimethylpropanamide;hydroiodide?
The InChIKey is UZMLHEUHCSZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O.HI/c1-11(2,9(16)13-3)7-14-10(12)15(4)8-5-6-8;/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16);1H.
What are the key properties of 3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide?
3-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]-N,2,2-trimethylpropanamide;hydroiodide has a molecular weight of 354.24 g/mol, XLogP of 0.79, 4 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,2,2-trimethylpropanamide;hydroiodide is sourced from PubChem (CID 110031718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).