N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

C19H40IN5 — CID 111734430

IUPACN-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(C(C)CN/C(=N/C)N2CCC(CC(C)C)C2)CC1.I
InChIInChI=1S/C19H39N5.HI/c1-6-22-9-11-23(12-10-22)17(4)14-21-19(20-5)24-8-7-18(15-24)13-16(2)3;/h16-18H,6-15H2,1-5H3,(H,20,21);1H
InChIKeyRCBVRGZJYRNXRA-UHFFFAOYSA-N
MW465.47 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide

N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111734430) has the molecular formula C19H40IN5 and a molecular weight of 465.47 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111734430
Molecular FormulaC19H40IN5
Molecular Weight465.47 g/mol
Exact Mass465.23
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(C(C)CN/C(=N/C)N2CCC(CC(C)C)C2)CC1.I
InChIInChI=1S/C19H39N5.HI/c1-6-22-9-11-23(12-10-22)17(4)14-21-19(20-5)24-8-7-18(15-24)13-16(2)3;/h16-18H,6-15H2,1-5H3,(H,20,21);1H
InChIKeyRCBVRGZJYRNXRA-UHFFFAOYSA-N
XLogP2.57
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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'-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111733982
N-(2-ethylsulfonylethyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734876
N-[2-[ethyl(methyl)amino]ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734420
N-cyclobutyl-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 119154085
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734909
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734061
N-[7-(dimethylamino)heptyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734548
N-(3-ethoxypropyl)-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide
CID 111734385
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451944
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111734110
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide
CID 109451945
N'-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110934216

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111734430) is N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN1CCN(C(C)CN/C(=N/C)N2CCC(CC(C)C)C2)CC1.I.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is RCBVRGZJYRNXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N5.HI/c1-6-22-9-11-23(12-10-22)17(4)14-21-19(20-5)24-8-7-18(15-24)13-16(2)3;/h16-18H,6-15H2,1-5H3,(H,20,21);1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(4-ethylpiperazin-1-yl)propyl]-N'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 465.47 g/mol, XLogP of 2.57, 6 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'-methyl-3-(2-methylpropyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111734430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).