1-(3,3-dimethylcyclobutyl)-2-ethylguanidine

C9H19N3 — CID 131142439

IUPAC1-(3,3-dimethylcyclobutyl)-2-ethylguanidine
SMILESCC/N=C(\N)NC1CC(C)(C)C1
InChIInChI=1S/C9H19N3/c1-4-11-8(10)12-7-5-9(2,3)6-7/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyPLYGKVLJPFBSEH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds2

About 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine

1-(3,3-dimethylcyclobutyl)-2-ethylguanidine (PubChem CID 131142439) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclobutyl)-2-ethylguanidine
PubChem CID131142439
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1-(3,3-dimethylcyclobutyl)-2-ethylguanidine
SMILESCC/N=C(\N)NC1CC(C)(C)C1
InChIInChI=1S/C9H19N3/c1-4-11-8(10)12-7-5-9(2,3)6-7/h7H,4-6H2,1-3H3,(H3,10,11,12)
InChIKeyPLYGKVLJPFBSEH-UHFFFAOYSA-N
XLogP1.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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
2-ethyl-1-(oxan-4-yl)guanidine
CID 62361758
2-ethyl-1-(1-ethylazetidin-3-yl)guanidine
CID 130654116
2-ethyl-1-[(1S,3R)-3-methylsulfanylcyclopentyl]guanidine
CID 95903132
2-ethyl-1-[(1R,3S)-3-methylsulfanylcyclopentyl]guanidine
CID 124504714
2-ethyl-1-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111530252
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
CID 103734487
1-(1,1-dioxothian-3-yl)-2-ethylguanidine
CID 63922578
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
CID 65123694
1-[(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-2-ethylguanidine
CID 122099416
2-ethyl-1-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 64667638
1-cyclobutyl-2-[(3,3-dimethylcyclohexyl)methyl]guanidine
CID 122098227

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine?
The IUPAC name of 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine (CID 131142439) is 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine.
What is the SMILES notation for 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine?
The canonical SMILES for 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine is CC/N=C(\N)NC1CC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine?
The InChIKey is PLYGKVLJPFBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-11-8(10)12-7-5-9(2,3)6-7/h7H,4-6H2,1-3H3,(H3,10,11,12).
What are the key properties of 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine?
1-(3,3-dimethylcyclobutyl)-2-ethylguanidine has a molecular weight of 169.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclobutyl)-2-ethylguanidine is sourced from PubChem (CID 131142439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).