2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C14H32IN5O — CID 110927369

IUPAC2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN1CCN(CC(C)C/N=C(\N)NCCOC)CC1.I
InChIInChI=1S/C14H31N5O.HI/c1-4-18-6-8-19(9-7-18)12-13(2)11-17-14(15)16-5-10-20-3;/h13H,4-12H2,1-3H3,(H3,15,16,17);1H
InChIKeyDPNVISUVCDBKLJ-UHFFFAOYSA-N
MW413.35 g/mol
LogP0.43
Rot. Bonds8

About 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110927369) has the molecular formula C14H32IN5O and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110927369
Molecular FormulaC14H32IN5O
Molecular Weight413.35 g/mol
Exact Mass413.17
IUPAC Name2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCCN1CCN(CC(C)C/N=C(\N)NCCOC)CC1.I
InChIInChI=1S/C14H31N5O.HI/c1-4-18-6-8-19(9-7-18)12-13(2)11-17-14(15)16-5-10-20-3;/h13H,4-12H2,1-3H3,(H3,15,16,17);1H
InChIKeyDPNVISUVCDBKLJ-UHFFFAOYSA-N
XLogP0.43
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
1-(3-ethoxypropyl)-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070337
1-(3,4-dimethoxyphenyl)-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 111070455
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 62991694
1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
2-(2-methyl-3-morpholin-4-ylpropyl)-1-octylguanidine;hydroiodide
CID 111802229
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-phenylguanidine
CID 110927374
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111070331
1-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-propan-2-ylguanidine;hydroiodide
CID 111127335
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
ethyl 4-[[N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111070462

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110927369) is 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide is CCN1CCN(CC(C)C/N=C(\N)NCCOC)CC1.I.
What is the InChIKey of 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is DPNVISUVCDBKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5O.HI/c1-4-18-6-8-19(9-7-18)12-13(2)11-17-14(15)16-5-10-20-3;/h13H,4-12H2,1-3H3,(H3,15,16,17);1H.
What are the key properties of 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 413.35 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110927369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).