2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide

C18H35IN4 — CID 111807653

IUPAC2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C18H34N4.HI/c19-18(20-12-15-8-4-9-15)21-13-17-10-5-11-22(17)14-16-6-2-1-3-7-16;/h15-17H,1-14H2,(H3,19,20,21);1H
InChIKeyMVFDPKFTYILQNG-UHFFFAOYSA-N
MW434.41 g/mol
LogP3.35
Rot. Bonds6

About 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide

2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide (PubChem CID 111807653) has the molecular formula C18H35IN4 and a molecular weight of 434.41 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
PubChem CID111807653
Molecular FormulaC18H35IN4
Molecular Weight434.41 g/mol
Exact Mass434.19
IUPAC Name2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CCC1)NCC1CCCN1CC1CCCCC1
InChIInChI=1S/C18H34N4.HI/c19-18(20-12-15-8-4-9-15)21-13-17-10-5-11-22(17)14-16-6-2-1-3-7-16;/h15-17H,1-14H2,(H3,19,20,21);1H
InChIKeyMVFDPKFTYILQNG-UHFFFAOYSA-N
XLogP3.35
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 53.35
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-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-2-(2-methylprop-2-enyl)guanidine
CID 111807644
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1-phenylguanidine
CID 111111458
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111802069
2-(cyclobutylmethyl)-1-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117526
tert-butyl 4-[[[amino-[(1-ethylpyrrolidin-2-yl)methylamino]methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111063039
1-(cyclobutylmethyl)-2-[(1-methylpiperidin-3-yl)methyl]guanidine
CID 111802070
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111807627
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
2-(cyclobutylmethyl)-1-(3-cyclohexylpropyl)guanidine;hydroiodide
CID 111062821
2-(cyclobutylmethyl)-1-(3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111034788
2-(cyclobutylmethyl)-1-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111077544

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The IUPAC name of 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide (CID 111807653) is 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The canonical SMILES for 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide is I.N/C(=N\CC1CCC1)NCC1CCCN1CC1CCCCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
The InChIKey is MVFDPKFTYILQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4.HI/c19-18(20-12-15-8-4-9-15)21-13-17-10-5-11-22(17)14-16-6-2-1-3-7-16;/h15-17H,1-14H2,(H3,19,20,21);1H.
What are the key properties of 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide?
2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide has a molecular weight of 434.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-1-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111807653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).