2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

C14H24IN3OS — CID 111792265

IUPAC2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCO1)NCC(C)c1cccs1.I
InChIInChI=1S/C14H23N3OS.HI/c1-11(13-6-4-8-19-13)9-16-14(15-2)17-10-12-5-3-7-18-12;/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H2,15,16,17);1H
InChIKeySVOLDPGQSVXBOR-UHFFFAOYSA-N
MW409.34 g/mol
LogP2.81
Rot. Bonds5

About 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (PubChem CID 111792265) has the molecular formula C14H24IN3OS and a molecular weight of 409.34 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
PubChem CID111792265
Molecular FormulaC14H24IN3OS
Molecular Weight409.34 g/mol
Exact Mass409.07
IUPAC Name2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCO1)NCC(C)c1cccs1.I
InChIInChI=1S/C14H23N3OS.HI/c1-11(13-6-4-8-19-13)9-16-14(15-2)17-10-12-5-3-7-18-12;/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H2,15,16,17);1H
InChIKeySVOLDPGQSVXBOR-UHFFFAOYSA-N
XLogP2.81
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 52.81
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

2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111798001
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
1-(2-ethylbutyl)-2-methyl-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111987696
2-methyl-1-(oxolan-2-ylmethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine
CID 111138245
1-[2-(2-methoxyphenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111502914
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821
1-[2-(2-fluorophenoxy)propyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111501906
N'-methyl-4-(oxan-2-ylmethoxy)-N-(2-thiophen-2-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 109447746
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111792237
1-(2,2-dicyclopropylethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111500027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide (CID 111792265) is 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is C/N=C(\NCC1CCCO1)NCC(C)c1cccs1.I.
What is the InChIKey of 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
The InChIKey is SVOLDPGQSVXBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.HI/c1-11(13-6-4-8-19-13)9-16-14(15-2)17-10-12-5-3-7-18-12;/h4,6,8,11-12H,3,5,7,9-10H2,1-2H3,(H2,15,16,17);1H.
What are the key properties of 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide?
2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide has a molecular weight of 409.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-2-ylmethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111792265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).