2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H27IN4O — CID 111558520

IUPAC2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CC1c1ccccc1.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(20-12-16(22)21(2)3)19-11-14-10-15(14)13-8-6-5-7-9-13;/h5-9,14-15H,4,10-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyUJJFIBCDQWCHLT-UHFFFAOYSA-N
MW430.33 g/mol
LogP2.05
Rot. Bonds6

About 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111558520) has the molecular formula C17H27IN4O and a molecular weight of 430.33 g/mol. Its IUPAC name is 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111558520
Molecular FormulaC17H27IN4O
Molecular Weight430.33 g/mol
Exact Mass430.12
IUPAC Name2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC1CC1c1ccccc1.I
InChIInChI=1S/C17H26N4O.HI/c1-4-18-17(20-12-16(22)21(2)3)19-11-14-10-15(14)13-8-6-5-7-9-13;/h5-9,14-15H,4,10-12H2,1-3H3,(H2,18,19,20);1H
InChIKeyUJJFIBCDQWCHLT-UHFFFAOYSA-N
XLogP2.05
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 52.05
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

2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035158
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558522
2-[[ethylamino-[(1-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364964
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558479
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
CID 110035637
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364538
2-[[ethylamino-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365113
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
2-[[ethylamino-[(1-phenylcyclobutyl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111364849
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111558308
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(2-phenylcyclopropyl)methyl]guanidine
CID 111558613

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111558520) is 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC1CC1c1ccccc1.I.
What is the InChIKey of 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is UJJFIBCDQWCHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.HI/c1-4-18-17(20-12-16(22)21(2)3)19-11-14-10-15(14)13-8-6-5-7-9-13;/h5-9,14-15H,4,10-12H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 430.33 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111558520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).