2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine

C12H25N3 — CID 78965826

IUPAC2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC/N=C(\N)NC1CCCCC1C(C)C
InChIInChI=1S/C12H25N3/c1-4-14-12(13)15-11-8-6-5-7-10(11)9(2)3/h9-11H,4-8H2,1-3H3,(H3,13,14,15)
InChIKeyXLICJHWHMLVBQF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.13
Rot. Bonds3

About 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine

2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine (PubChem CID 78965826) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
PubChem CID78965826
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine
SMILESCC/N=C(\N)NC1CCCCC1C(C)C
InChIInChI=1S/C12H25N3/c1-4-14-12(13)15-11-8-6-5-7-10(11)9(2)3/h9-11H,4-8H2,1-3H3,(H3,13,14,15)
InChIKeyXLICJHWHMLVBQF-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.13
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-(5-Aminopentyl)-3-(2-cyclohexylethyl)guanidine
CID 44222291
N-(adamantan-2-yl)-N'-ethylguanidine
CID 137701498
2-Cyclohexyl-1-(6,10-dimethylundecan-2-yl)guanidine;hydroiodide
CID 67945426
1-Cyclohexyl-2-(3-methyl-2-propan-2-ylbutyl) guanidine
CID 102913365
1-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]guanidine
CID 139259814
1-(2-Cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473690
1-(2-Cyclohexylcyclopropyl)-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109473691
1-(2-Cyclohexylcyclopropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475072
1-(2-Cyclohexylcyclopropyl)-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109475073
1-(4-Cyclohexylbutan-2-yl)-3-(2,2-difluoroethyl)-2-methylguanidine
CID 109482645
1-(4-Cyclohexylbutan-2-yl)-3-(3-fluoropropyl)-2-methylguanidine
CID 109482822
1-(3-Fluoropropyl)-2-methyl-3-(4-propan-2-ylcyclohexyl)guanidine
CID 109840812

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine?
The IUPAC name of 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine (CID 78965826) is 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine?
The canonical SMILES for 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine is CC/N=C(\N)NC1CCCCC1C(C)C.
What is the InChIKey of 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine?
The InChIKey is XLICJHWHMLVBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-4-14-12(13)15-11-8-6-5-7-10(11)9(2)3/h9-11H,4-8H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine?
2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine has a molecular weight of 211.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-propan-2-ylcyclohexyl)guanidine is sourced from PubChem (CID 78965826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).