N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

C19H40IN5 — CID 109453901

IUPACN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CC(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1.I
InChIInChI=1S/C19H39N5.HI/c1-8-22-9-11-23(12-10-22)14-16(2)13-21-17(20-7)24-15-18(3,4)19(24,5)6;/h16H,8-15H2,1-7H3,(H,20,21);1H
InChIKeyOSDNDYVTGNAQGK-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.57
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide

N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (PubChem CID 109453901) has the molecular formula C19H40IN5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
PubChem CID109453901
Molecular FormulaC19H40IN5
Molecular Weight465.47 g/mol
Exact Mass465.23
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CC(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1.I
InChIInChI=1S/C19H39N5.HI/c1-8-22-9-11-23(12-10-22)14-16(2)13-21-17(20-7)24-15-18(3,4)19(24,5)6;/h16H,8-15H2,1-7H3,(H,20,21);1H
InChIKeyOSDNDYVTGNAQGK-UHFFFAOYSA-N
XLogP2.57
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
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',2,2,3,3-pentamethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109454195
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451944
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451945
N',2,2,3,3-pentamethyl-N-(3-methyl-2-morpholin-4-ylbutyl)azetidine-1-carboximidamide;hydroiodide
CID 109453307
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002640
2-ethyl-N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109486911
1-[2-[di(propan-2-yl)amino]ethyl]-3-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-methylguanidine;hydroiodide
CID 111247702
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961993
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745338
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hexyl-2-methylguanidine;hydroiodide
CID 111161790
N',2,2,3,3-pentamethyl-N-(2-thiophen-3-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109454149

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide (CID 109453901) is N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is CCN1CCN(CC(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1.I.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
The InChIKey is OSDNDYVTGNAQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5.HI/c1-8-22-9-11-23(12-10-22)14-16(2)13-21-17(20-7)24-15-18(3,4)19(24,5)6;/h16H,8-15H2,1-7H3,(H,20,21);1H.
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide?
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide has a molecular weight of 465.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109453901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).