2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide

C15H31IN4 — CID 120580676

IUPAC2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
SMILESCC1(C)CCCN(CCN/C(N)=N/CC2CCC2)C1.I
InChIInChI=1S/C15H30N4.HI/c1-15(2)7-4-9-19(12-15)10-8-17-14(16)18-11-13-5-3-6-13;/h13H,3-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyXFPWUNZKIJTPAG-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.43
Rot. Bonds5

About 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide (PubChem CID 120580676) has the molecular formula C15H31IN4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
PubChem CID120580676
Molecular FormulaC15H31IN4
Molecular Weight394.35 g/mol
Exact Mass394.16
IUPAC Name2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
SMILESCC1(C)CCCN(CCN/C(N)=N/CC2CCC2)C1.I
InChIInChI=1S/C15H30N4.HI/c1-15(2)7-4-9-19(12-15)10-8-17-14(16)18-11-13-5-3-6-13;/h13H,3-12H2,1-2H3,(H3,16,17,18);1H
InChIKeyXFPWUNZKIJTPAG-UHFFFAOYSA-N
XLogP2.43
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
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

2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 111091675
2-(cyclohexylmethyl)-1-(5-pyrrolidin-1-ylpentyl)guanidine
CID 10589924
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111027951
N-[2-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111095014
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
tert-butyl 4-[3-[[N'-(cyclobutylmethyl)carbamimidoyl]amino]propyl]piperazine-1-carboxylate;hydroiodide
CID 111070901
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544
1-(2-butoxyethyl)-2-(cyclobutylmethyl)guanidine;hydroiodide
CID 111075034
2-(cyclobutylmethyl)-1-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083566

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide (CID 120580676) is 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide is CC1(C)CCCN(CCN/C(N)=N/CC2CCC2)C1.I.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide?
The InChIKey is XFPWUNZKIJTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4.HI/c1-15(2)7-4-9-19(12-15)10-8-17-14(16)18-11-13-5-3-6-13;/h13H,3-12H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide has a molecular weight of 394.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[2-(3,3-dimethylpiperidin-1-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 120580676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).