2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C18H31IN4O — CID 111365322

IUPAC2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1cccc(C)c1.I
InChIInChI=1S/C18H30N4O.HI/c1-7-19-17(20-12-16(23)22(5)6)21-13-18(3,4)15-10-8-9-14(2)11-15;/h8-11H,7,12-13H2,1-6H3,(H2,19,20,21);1H
InChIKeySQAVVGGKDIWXIH-UHFFFAOYSA-N
MW446.38 g/mol
LogP2.53
Rot. Bonds6

About 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111365322) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111365322
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC Name2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1cccc(C)c1.I
InChIInChI=1S/C18H30N4O.HI/c1-7-19-17(20-12-16(23)22(5)6)21-13-18(3,4)15-10-8-9-14(2)11-15;/h8-11H,7,12-13H2,1-6H3,(H2,19,20,21);1H
InChIKeySQAVVGGKDIWXIH-UHFFFAOYSA-N
XLogP2.53
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 52.53
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-[[[[2-(3-chlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365320
2-[[[[2-(3,4-dichlorophenyl)-2-methylpropyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111365359
2-[[ethylamino-[[2-(4-fluorophenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364028
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
2-[[ethylamino-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111839083
1-ethyl-2-[2-methyl-2-(3-methylphenyl)propyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111848932
N-[2-methyl-2-(3-methylphenyl)propyl]carbamoyl bromide
CID 115194297
2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111607167
2-[[ethylamino-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111755049
N-[2-[[N-ethyl-N'-[2-methyl-2-(3-methylphenyl)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928403
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364792
2-[[[[2-(4-ethylphenyl)-2-methylpropyl]amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110043295

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111365322) is 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC(C)(C)c1cccc(C)c1.I.
What is the InChIKey of 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is SQAVVGGKDIWXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-7-19-17(20-12-16(23)22(5)6)21-13-18(3,4)15-10-8-9-14(2)11-15;/h8-11H,7,12-13H2,1-6H3,(H2,19,20,21);1H.
What are the key properties of 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[[2-methyl-2-(3-methylphenyl)propyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111365322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).