1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide

C14H32IN5 — CID 111070321

IUPAC1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NC(C)(C)C)CN1CCN(C)CC1.I
InChIInChI=1S/C14H31N5.HI/c1-12(10-16-13(15)17-14(2,3)4)11-19-8-6-18(5)7-9-19;/h12H,6-11H2,1-5H3,(H3,15,16,17);1H
InChIKeyJJAXDZHZERXYCH-UHFFFAOYSA-N
MW397.35 g/mol
LogP1.19
Rot. Bonds4

About 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide

1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111070321) has the molecular formula C14H32IN5 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111070321
Molecular FormulaC14H32IN5
Molecular Weight397.35 g/mol
Exact Mass397.17
IUPAC Name1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)NC(C)(C)C)CN1CCN(C)CC1.I
InChIInChI=1S/C14H31N5.HI/c1-12(10-16-13(15)17-14(2,3)4)11-19-8-6-18(5)7-9-19;/h12H,6-11H2,1-5H3,(H3,15,16,17);1H
InChIKeyJJAXDZHZERXYCH-UHFFFAOYSA-N
XLogP1.19
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

1-Cyclopropyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine
CID 75532405
1-Tert-butyl-2-(2-piperidin-1-ylethyl)guanidine
CID 59768486
4-tert-butyl-N'-methylpiperazine-1-carboximidamide
CID 62359694
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
2-(4-Tert-butylpiperazin-1-yl)-1,4,5,6-tetrahydropyrimidine
CID 138669108
(1E)-1-[amino-[4-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)butylamino]methylidene]-2-(2-methylpropyl)guanidine
CID 176529549
N'-[3-(dimethylamino)propyl]piperazine-1-carboximidamide
CID 16105682
3-[[Amino(piperazin-1-yl)methylidene]amino]propyl-trimethylazanium
CID 16105724
1-Tert-butyl-3-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 53610609
1-[2-(4-Methylpiperazin-1-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 55063998
N'-tert-butyl-4-propylpiperazine-1-carboximidamide
CID 62360640
N'-(2-methylpropyl)-4-propylpiperazine-1-carboximidamide
CID 62360641

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide (CID 111070321) is 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide is CC(C/N=C(\N)NC(C)(C)C)CN1CCN(C)CC1.I.
What is the InChIKey of 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is JJAXDZHZERXYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5.HI/c1-12(10-16-13(15)17-14(2,3)4)11-19-8-6-18(5)7-9-19;/h12H,6-11H2,1-5H3,(H3,15,16,17);1H.
What are the key properties of 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide?
1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 397.35 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111070321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).