1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide

C14H31IN4 — CID 111086316

IUPAC1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
SMILESCC(C)N1CCCC(C/N=C(\N)NC(C)(C)C)C1.I
InChIInChI=1S/C14H30N4.HI/c1-11(2)18-8-6-7-12(10-18)9-16-13(15)17-14(3,4)5;/h11-12H,6-10H2,1-5H3,(H3,15,16,17);1H
InChIKeyPLAPUEDCUCMBMM-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.43
Rot. Bonds3

About 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide

1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide (PubChem CID 111086316) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
PubChem CID111086316
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
SMILESCC(C)N1CCCC(C/N=C(\N)NC(C)(C)C)C1.I
InChIInChI=1S/C14H30N4.HI/c1-11(2)18-8-6-7-12(10-18)9-16-13(15)17-14(3,4)5;/h11-12H,6-10H2,1-5H3,(H3,15,16,17);1H
InChIKeyPLAPUEDCUCMBMM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
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-propan-2-yl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086324
1-tert-butyl-2-[(1-ethylpiperidin-3-yl)methyl]guanidine
CID 111084251
tert-butyl 3-[[[amino-(tert-butylamino)methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111082956
1,1,3,3-tetramethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086348
1-(3-propan-2-ylphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111086361
1-tert-butyl-2-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111081762
1-(3-chloro-4-methoxyphenyl)-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111086374
1-[1-(2,4-dichlorophenyl)ethyl]-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 111086387
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
1-butan-2-yl-3-ethyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 110943909
1-carbamimidoyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]guanidine
CID 176546861
(3S)-3-(2,2-dimethylpropyl)-1-propan-2-ylpiperidine
CID 164786402

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide (CID 111086316) is 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide is CC(C)N1CCCC(C/N=C(\N)NC(C)(C)C)C1.I.
What is the InChIKey of 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
The InChIKey is PLAPUEDCUCMBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-11(2)18-8-6-7-12(10-18)9-16-13(15)17-14(3,4)5;/h11-12H,6-10H2,1-5H3,(H3,15,16,17);1H.
What are the key properties of 1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide?
1-tert-butyl-2-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.43, 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-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111086316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).