1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine

C9H22N4OS — CID 104888803

IUPAC1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)NC(C)CSC
InChIInChI=1S/C9H22N4OS/c1-7(5-14-3)11-9(13-10)12-8(2)6-15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyGMVVIQDLQUJERT-UHFFFAOYSA-N
MW234.37 g/mol
LogP0.18
Rot. Bonds6

About 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine

1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine (PubChem CID 104888803) has the molecular formula C9H22N4OS and a molecular weight of 234.37 g/mol. Its IUPAC name is 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine
PubChem CID104888803
Molecular FormulaC9H22N4OS
Molecular Weight234.37 g/mol
Exact Mass234.15
IUPAC Name1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine
SMILESCOCC(C)/N=C(\NN)NC(C)CSC
InChIInChI=1S/C9H22N4OS/c1-7(5-14-3)11-9(13-10)12-8(2)6-15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13)
InChIKeyGMVVIQDLQUJERT-UHFFFAOYSA-N
XLogP0.18
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-(1-methoxypropan-2-yl)-2-[2-(trifluoromethylsulfanyl)ethyl]guanidine
CID 106434165
1-Amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
1-Amino-2-(2-methoxyethyl)-3-(thiolan-3-yl)guanidine
CID 103065591
1-Amino-2-(3-ethoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065593
1-Amino-3-(1-methoxypropan-2-yl)-2-(thiolan-3-yl)guanidine
CID 103065595
1-Amino-3-(1-methoxypropan-2-yl)-2-(2-methylsulfonylethyl)guanidine
CID 104882655
1-Amino-2-(2-ethoxyethyl)-3-propan-2-ylguanidine
CID 104882707
1-Amino-3-(1-methoxypropan-2-yl)-2-propylguanidine
CID 104882773
1-Amino-2-(1-methoxypropan-2-yl)-3-propan-2-ylguanidine
CID 104882802
1-Amino-2-butan-2-yl-3-(1-methoxypropan-2-yl)guanidine
CID 104882816
1-Amino-3-butan-2-yl-2-(2-methoxyethyl)guanidine
CID 104882825
1-Amino-2-(1,1-dioxothiolan-3-yl)-3-(1-methoxypropan-2-yl)guanidine
CID 104883029

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine?
The IUPAC name of 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine (CID 104888803) is 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine.
What is the SMILES notation for 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine?
The canonical SMILES for 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine is COCC(C)/N=C(\NN)NC(C)CSC.
What is the InChIKey of 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine?
The InChIKey is GMVVIQDLQUJERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4OS/c1-7(5-14-3)11-9(13-10)12-8(2)6-15-4/h7-8H,5-6,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine?
1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine has a molecular weight of 234.37 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-methoxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)guanidine is sourced from PubChem (CID 104888803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).