2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine

C8H17N3O — CID 62358443

IUPAC2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NC(C)C1CCCO1
InChIInChI=1S/C8H17N3O/c1-6(11-8(9)10-2)7-4-3-5-12-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyFGYHHGLRUOSDGV-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds2

About 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine

2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine (PubChem CID 62358443) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine
PubChem CID62358443
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine
SMILESC/N=C(\N)NC(C)C1CCCO1
InChIInChI=1S/C8H17N3O/c1-6(11-8(9)10-2)7-4-3-5-12-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11)
InChIKeyFGYHHGLRUOSDGV-UHFFFAOYSA-N
XLogP0.09
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.09
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'}

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Related Compounds

N',4-dimethyl-N-[1-(oxolan-2-yl)ethyl]piperidine-1-carboximidamide
CID 75534715
1-(3-Fluoropropyl)-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
CID 109755259
1-Ethyl-2-(3-fluoropropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine
CID 109757475
1-Methyl-2-nitro-3-[1-(oxolan-2-yl)ethyl]guanidine
CID 139699426
N-Cyano-N'-[(tetrahydrofuran-2-yl)methyl]-N''-methylguanidine
CID 2761207
1-cyano-2-methyl-3-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 7171863
1-cyano-2-methyl-3-[[(2R)-oxolan-2-yl]methyl]guanidine
CID 7171864
1-Ethyl-3-[1-(oxolan-2-yl)ethyl]-2-prop-2-enylguanidine;hydroiodide
CID 53597219
1-Ethyl-3-[1-(oxolan-2-yl)ethyl]-2-prop-2-enylguanidine
CID 53597220
1-(4-Cyanobutyl)-3-[1-(oxolan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 56805665
1-(2-Methoxycyclopentyl)-2-methylguanidine
CID 62359163
1,2-Dimethyl-1-(oxolan-2-ylmethyl)guanidine
CID 62359695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine (CID 62358443) is 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine is C/N=C(\N)NC(C)C1CCCO1.
What is the InChIKey of 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is FGYHHGLRUOSDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6(11-8(9)10-2)7-4-3-5-12-7/h6-7H,3-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine?
2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 171.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 62358443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).