2-ethyl-1-(oxan-4-yl)guanidine

C8H17N3O — CID 62361758

IUPAC2-ethyl-1-(oxan-4-yl)guanidine
SMILESCC/N=C(\N)NC1CCOCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyDGCBXFFNUSHHBS-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.09
Rot. Bonds2

About 2-ethyl-1-(oxan-4-yl)guanidine

2-ethyl-1-(oxan-4-yl)guanidine (PubChem CID 62361758) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-ethyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(oxan-4-yl)guanidine
PubChem CID62361758
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-ethyl-1-(oxan-4-yl)guanidine
SMILESCC/N=C(\N)NC1CCOCC1
InChIInChI=1S/C8H17N3O/c1-2-10-8(9)11-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H3,9,10,11)
InChIKeyDGCBXFFNUSHHBS-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

1-cyclohexyl-2-ethylguanidine
CID 18727697
1-(3,3-dimethylcyclobutyl)-2-ethylguanidine
CID 131142439
2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
CID 130654116
1-cyclopropyl-2-(oxan-4-yl)guanidine
CID 62361761
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
1-cyclopropyl-2-[(4-hydroxyoxan-4-yl)methyl]guanidine;hydroiodide
CID 119120840
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
2-amino-2-methyl-N-(oxan-4-yl)butanamide
CID 79797444
1-(1,1-dioxothian-3-yl)-2-ethylguanidine
CID 63922578
1-cyclohexyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055183
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 2-ethyl-1-(oxan-4-yl)guanidine (CID 62361758) is 2-ethyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(oxan-4-yl)guanidine is CC/N=C(\N)NC1CCOCC1.
What is the InChIKey of 2-ethyl-1-(oxan-4-yl)guanidine?
The InChIKey is DGCBXFFNUSHHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-2-10-8(9)11-7-3-5-12-6-4-7/h7H,2-6H2,1H3,(H3,9,10,11).
What are the key properties of 2-ethyl-1-(oxan-4-yl)guanidine?
2-ethyl-1-(oxan-4-yl)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-ethyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 62361758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).