1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine

C12H23N3O — CID 111810434

IUPAC1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)NC2CCCCC2)COC1
InChIInChI=1S/C12H23N3O/c1-12(8-16-9-12)7-14-11(13)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyYRVFHDWXVQPOKU-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.26
Rot. Bonds3

About 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine

1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine (PubChem CID 111810434) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
PubChem CID111810434
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)NC2CCCCC2)COC1
InChIInChI=1S/C12H23N3O/c1-12(8-16-9-12)7-14-11(13)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyYRVFHDWXVQPOKU-UHFFFAOYSA-N
XLogP1.26
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.26
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-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
1-cyclopentyl-2-[(2-methyl-7-oxabicyclo[2.2.1]heptan-2-yl)methyl]guanidine
CID 122125725
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
CID 122099517
1-cyclopentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119146934
1-cycloheptyl-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098991
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-[(2-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110912554
1-cyclopropyl-2-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]guanidine
CID 65123694

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine (CID 111810434) is 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine is CC1(C/N=C(\N)NC2CCCCC2)COC1.
What is the InChIKey of 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine?
The InChIKey is YRVFHDWXVQPOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(8-16-9-12)7-14-11(13)15-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine?
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine is sourced from PubChem (CID 111810434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).