2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H30IN5O — CID 111364538

IUPAC2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)N(C)c1ccccc1.I
InChIInChI=1S/C17H29N5O.HI/c1-6-18-17(20-13-16(23)21(3)4)19-12-14(2)22(5)15-10-8-7-9-11-15;/h7-11,14H,6,12-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyAMEGGJHXBLVAEN-UHFFFAOYSA-N
MW447.37 g/mol
LogP1.77
Rot. Bonds7

About 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111364538) has the molecular formula C17H30IN5O and a molecular weight of 447.37 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111364538
Molecular FormulaC17H30IN5O
Molecular Weight447.37 g/mol
Exact Mass447.15
IUPAC Name2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)N(C)c1ccccc1.I
InChIInChI=1S/C17H29N5O.HI/c1-6-18-17(20-13-16(23)21(3)4)19-12-14(2)22(5)15-10-8-7-9-11-15;/h7-11,14H,6,12-13H2,1-5H3,(H2,18,19,20);1H
InChIKeyAMEGGJHXBLVAEN-UHFFFAOYSA-N
XLogP1.77
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 51.77
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

2-[[[[2-(diethylamino)-2-phenylethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111011119
2-[[ethylamino-[2-(4-methoxyphenoxy)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111788641
2-[[ethylamino-[2-(3-methylphenyl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111659677
2-[[[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365334
2-[[[[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365522
2-methyl-1-[2-(N-methylanilino)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111126318
1,2-dimethyl-3-[2-(N-methylanilino)propyl]guanidine
CID 75493772
2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
2-[[[3-(benzenesulfonyl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364318
2-[[ethylamino-[(2-phenylcyclopropyl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111558520
1-ethyl-3-[2-(N-methylanilino)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314081
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111364538) is 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC(C)N(C)c1ccccc1.I.
What is the InChIKey of 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is AMEGGJHXBLVAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O.HI/c1-6-18-17(20-13-16(23)21(3)4)19-12-14(2)22(5)15-10-8-7-9-11-15;/h7-11,14H,6,12-13H2,1-5H3,(H2,18,19,20);1H.
What are the key properties of 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 447.37 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111364538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).