2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C15H31IN4O2 — CID 110048704

IUPAC2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCC(N/C(=N/CC(=O)N(C)C)NCC(C)C)C1CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-11(2)8-16-15(17-9-14(20)19(3)4)18-13(10-21-5)12-6-7-12;/h11-13H,6-10H2,1-5H3,(H2,16,17,18);1H
InChIKeyZZPPJAQVSZNXEB-UHFFFAOYSA-N
MW426.34 g/mol
LogP1.31
Rot. Bonds8

About 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110048704) has the molecular formula C15H31IN4O2 and a molecular weight of 426.34 g/mol. Its IUPAC name is 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110048704
Molecular FormulaC15H31IN4O2
Molecular Weight426.34 g/mol
Exact Mass426.15
IUPAC Name2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCC(N/C(=N/CC(=O)N(C)C)NCC(C)C)C1CC1.I
InChIInChI=1S/C15H30N4O2.HI/c1-11(2)8-16-15(17-9-14(20)19(3)4)18-13(10-21-5)12-6-7-12;/h11-13H,6-10H2,1-5H3,(H2,16,17,18);1H
InChIKeyZZPPJAQVSZNXEB-UHFFFAOYSA-N
XLogP1.31
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 51.31
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

N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(2-methylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110037260
2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110048733
2-[[(cyclohexylmethylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767470
2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-[3-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110048709
2-[[(1-methoxypropan-2-ylamino)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111906862
2-[[(3-ethoxypropylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111178126
2-[[(cyclopent-3-en-1-ylamino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 91648163
N,N-dimethyl-2-[[(2-methylpropylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide
CID 110034777
N,N-dimethyl-2-[[[(3-methylcyclohexyl)amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110039537
N,N-dimethyl-2-[[(3-methylbutylamino)-(2-methylpropylamino)methylidene]amino]acetamide
CID 111494828
tert-butyl N-[1-cyclopropyl-2-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-propylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 110035858
2-[[(butan-2-ylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491785

Frequently Asked Questions

What is the IUPAC name of 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110048704) is 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COCC(N/C(=N/CC(=O)N(C)C)NCC(C)C)C1CC1.I.
What is the InChIKey of 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is ZZPPJAQVSZNXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2.HI/c1-11(2)8-16-15(17-9-14(20)19(3)4)18-13(10-21-5)12-6-7-12;/h11-13H,6-10H2,1-5H3,(H2,16,17,18);1H.
What are the key properties of 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 426.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(1-cyclopropyl-2-methoxyethyl)amino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110048704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).