2-ethyl-1-(1-ethylazetidin-3-yl)guanidine

C8H18N4 — CID 130654116

IUPAC2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
SMILESCC/N=C(\N)NC1CN(CC)C1
InChIInChI=1S/C8H18N4/c1-3-10-8(9)11-7-5-12(4-2)6-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyIXATVUNAFVDCKO-UHFFFAOYSA-N
MW170.26 g/mol
LogP-0.39
Rot. Bonds3

About 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine

2-ethyl-1-(1-ethylazetidin-3-yl)guanidine (PubChem CID 130654116) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
PubChem CID130654116
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
SMILESCC/N=C(\N)NC1CN(CC)C1
InChIInChI=1S/C8H18N4/c1-3-10-8(9)11-7-5-12(4-2)6-7/h7H,3-6H2,1-2H3,(H3,9,10,11)
InChIKeyIXATVUNAFVDCKO-UHFFFAOYSA-N
XLogP-0.39
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.39
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'}

Analyze 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclohexyl-2-ethylguanidine
CID 18727697
1-(3,3-dimethylcyclobutyl)-2-ethylguanidine
CID 131142439
2-ethyl-1-(oxan-4-yl)guanidine
CID 62361758
1-(1-ethylazetidin-3-yl)-3-methylurea
CID 126997556
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638
N-(1-ethylazetidin-3-yl)bicyclo[2.1.1]hexane-2-carboxamide
CID 146427444
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
N-(1-ethylazetidin-3-yl)cyclohexanecarboxamide;molecular hydrogen
CID 153353379
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
N-(1-ethylazetidin-3-yl)pyrrolidine-2-carboxamide
CID 130638003
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
2-chloro-N-(1-ethylazetidin-3-yl)acetamide
CID 126997562

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine?
The IUPAC name of 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine (CID 130654116) is 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine?
The canonical SMILES for 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine is CC/N=C(\N)NC1CN(CC)C1.
What is the InChIKey of 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine?
The InChIKey is IXATVUNAFVDCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-3-10-8(9)11-7-5-12(4-2)6-7/h7H,3-6H2,1-2H3,(H3,9,10,11).
What are the key properties of 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine?
2-ethyl-1-(1-ethylazetidin-3-yl)guanidine has a molecular weight of 170.26 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylazetidin-3-yl)guanidine is sourced from PubChem (CID 130654116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).