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

C18H37N5 — CID 109451945

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCN1CCN(C(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1
InChIInChI=1S/C18H37N5/c1-8-21-9-11-22(12-10-21)15(2)13-20-16(19-7)23-14-17(3,4)18(23,5)6/h15H,8-14H2,1-7H3,(H,19,20)
InChIKeyARGAAZFRGZRIBS-UHFFFAOYSA-N
MW323.53 g/mol
LogP1.71
Rot. Bonds4

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

N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (PubChem CID 109451945) has the molecular formula C18H37N5 and a molecular weight of 323.53 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
PubChem CID109451945
Molecular FormulaC18H37N5
Molecular Weight323.53 g/mol
Exact Mass323.30
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
SMILESCCN1CCN(C(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1
InChIInChI=1S/C18H37N5/c1-8-21-9-11-22(12-10-21)15(2)13-20-16(19-7)23-14-17(3,4)18(23,5)6/h15H,8-14H2,1-7H3,(H,19,20)
InChIKeyARGAAZFRGZRIBS-UHFFFAOYSA-N
XLogP1.71
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 51.71
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'}

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451944
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109453901
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N',2,2,3,3-pentamethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109454195
N',2,2,3,3-pentamethyl-N-(3-methyl-2-morpholin-4-ylbutyl)azetidine-1-carboximidamide;hydroiodide
CID 109453307
N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734430
N-[2-[ethyl(propan-2-yl)amino]ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109453638
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111937360
1-butyl-3-[2-(4-ethylpiperazin-1-yl)propyl]-1,2-dimethylguanidine;hydroiodide
CID 111158134
N',2,2-trimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109489262
1-[3-[di(propan-2-yl)amino]propyl]-3-[2-(4-ethylpiperazin-1-yl)propyl]-2-methylguanidine
CID 111692770
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(4-methylpentyl)guanidine
CID 111943427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide (CID 109451945) is N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is CCN1CCN(C(C)CN/C(=N\C)N2CC(C)(C)C2(C)C)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
The InChIKey is ARGAAZFRGZRIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5/c1-8-21-9-11-22(12-10-21)15(2)13-20-16(19-7)23-14-17(3,4)18(23,5)6/h15H,8-14H2,1-7H3,(H,19,20).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide?
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide has a molecular weight of 323.53 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide is sourced from PubChem (CID 109451945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).