2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C16H35IN6O — CID 111363830

IUPAC2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C16H34N6O.HI/c1-6-17-16(19-13-15(23)20(4)5)18-12-14(3)22-10-8-21(7-2)9-11-22;/h14H,6-13H2,1-5H3,(H2,17,18,19);1H
InChIKeyBTHOZLGOYPXFDH-UHFFFAOYSA-N
MW454.40 g/mol
LogP0.27
Rot. Bonds7

About 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 111363830) has the molecular formula C16H35IN6O and a molecular weight of 454.40 g/mol. Its IUPAC name is 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID111363830
Molecular FormulaC16H35IN6O
Molecular Weight454.40 g/mol
Exact Mass454.19
IUPAC Name2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)C)NCC(C)N1CCN(CC)CC1.I
InChIInChI=1S/C16H34N6O.HI/c1-6-17-16(19-13-15(23)20(4)5)18-12-14(3)22-10-8-21(7-2)9-11-22;/h14H,6-13H2,1-5H3,(H2,17,18,19);1H
InChIKeyBTHOZLGOYPXFDH-UHFFFAOYSA-N
XLogP0.27
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.40
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3,4-dihydro-1H-isoquinolin-2-yl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365334
2-[[ethylamino-[4-(4-methylpiperazin-1-yl)butylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365234
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111844642
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111197621
2-[[ethylamino-[(1-propan-2-ylpiperidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365310
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111940393
2-[[ethylamino-[2-(N-methylanilino)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364538
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 111215881
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305090
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111602576

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 111363830) is 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)C)NCC(C)N1CCN(CC)CC1.I.
What is the InChIKey of 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is BTHOZLGOYPXFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N6O.HI/c1-6-17-16(19-13-15(23)20(4)5)18-12-14(3)22-10-8-21(7-2)9-11-22;/h14H,6-13H2,1-5H3,(H2,17,18,19);1H.
What are the key properties of 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 454.40 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[2-(4-ethylpiperazin-1-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 111363830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).