1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

C14H31IN4 — CID 111028795

IUPAC1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-13(2,3)17-12(15)16-11-14(4,5)18-9-7-6-8-10-18;/h6-11H2,1-5H3,(H3,15,16,17);1H
InChIKeyBIILXXRXWTVJOP-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.57
Rot. Bonds3

About 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111028795) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID111028795
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCC(C)(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I
InChIInChI=1S/C14H30N4.HI/c1-13(2,3)17-12(15)16-11-14(4,5)18-9-7-6-8-10-18;/h6-11H2,1-5H3,(H3,15,16,17);1H
InChIKeyBIILXXRXWTVJOP-UHFFFAOYSA-N
XLogP2.57
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-butan-2-yl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 51132121
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-[(2S)-butan-2-yl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 52525028
1-(3,5-dimethylphenyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111028792
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111028845
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-phenylethyl)guanidine;hydroiodide
CID 111028789
3-[[amino-(tert-butylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111072569
1-tert-butyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111089051
1-tert-butyl-2-(3-ethyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111042194
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125239
2-methyl-N'-(2-methyl-2-piperidin-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 120661073
1-cyclohexyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111080165

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (CID 111028795) is 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is CC(C)(C)N/C(N)=N/CC(C)(C)N1CCCCC1.I.
What is the InChIKey of 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is BIILXXRXWTVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-13(2,3)17-12(15)16-11-14(4,5)18-9-7-6-8-10-18;/h6-11H2,1-5H3,(H3,15,16,17);1H.
What are the key properties of 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111028795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).