1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide

C10H18IN3OS — CID 75482122

IUPAC1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1ccsc1.I
InChIInChI=1S/C10H17N3OS.HI/c1-8(6-14-2)13-10(11)12-5-9-3-4-15-7-9;/h3-4,7-8H,5-6H2,1-2H3,(H3,11,12,13);1H
InChIKeyJNAPDGNEKAJJKH-UHFFFAOYSA-N
MW355.25 g/mol
LogP1.81
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide

1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide (PubChem CID 75482122) has the molecular formula C10H18IN3OS and a molecular weight of 355.25 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
PubChem CID75482122
Molecular FormulaC10H18IN3OS
Molecular Weight355.25 g/mol
Exact Mass355.02
IUPAC Name1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
SMILESCOCC(C)N/C(N)=N/Cc1ccsc1.I
InChIInChI=1S/C10H17N3OS.HI/c1-8(6-14-2)13-10(11)12-5-9-3-4-15-7-9;/h3-4,7-8H,5-6H2,1-2H3,(H3,11,12,13);1H
InChIKeyJNAPDGNEKAJJKH-UHFFFAOYSA-N
XLogP1.81
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 51.81
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-[[4-(methoxymethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111053894
2-[[4-(diethylaminomethyl)phenyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111036143
1-(1-methoxypropan-2-yl)-2-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 111045402
2-[(3-bromophenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044563
1-(1-methoxypropan-2-yl)-2-[[4-(phenoxymethyl)phenyl]methyl]guanidine
CID 111054295
2-benzyl-1-(4-methoxybutan-2-yl)guanidine
CID 130557096
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
2-[(2-ethoxyphenyl)methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111044339
1-(1-methoxypropan-2-yl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050513
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055
1-(1-methoxypropan-2-yl)-2-[(2-methylphenyl)methyl]guanidine
CID 111031466
1-(1-methoxypropan-2-yl)-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082754

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide (CID 75482122) is 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide is COCC(C)N/C(N)=N/Cc1ccsc1.I.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
The InChIKey is JNAPDGNEKAJJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS.HI/c1-8(6-14-2)13-10(11)12-5-9-3-4-15-7-9;/h3-4,7-8H,5-6H2,1-2H3,(H3,11,12,13);1H.
What are the key properties of 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide?
1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide has a molecular weight of 355.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 75482122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).