2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine

C14H24N4 — CID 122099517

IUPAC2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
SMILESN#CC1(C/N=C(\N)NC2CCCCCC2)CCC1
InChIInChI=1S/C14H24N4/c15-10-14(8-5-9-14)11-17-13(16)18-12-6-3-1-2-4-7-12/h12H,1-9,11H2,(H3,16,17,18)
InChIKeyQUTUFLYUDUFIHT-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.31
Rot. Bonds3

About 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine

2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine (PubChem CID 122099517) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine.

Molecular Properties

Compound Name2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
PubChem CID122099517
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine
SMILESN#CC1(C/N=C(\N)NC2CCCCCC2)CCC1
InChIInChI=1S/C14H24N4/c15-10-14(8-5-9-14)11-17-13(16)18-12-6-3-1-2-4-7-12/h12H,1-9,11H2,(H3,16,17,18)
InChIKeyQUTUFLYUDUFIHT-UHFFFAOYSA-N
XLogP2.31
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.31
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-[[1-(hydroxymethyl)cyclohexyl]methyl]guanidine
CID 112697611
2-[1-[[[amino-(cycloheptylamino)methylidene]amino]methyl]cyclopropyl]acetamide
CID 122101737
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434
1-cyclopentyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973282
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopentyl-2-[(1-methylsulfonylcyclopentyl)methyl]guanidine
CID 120973749
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-(5-oxaspiro[3.5]nonan-8-ylmethyl)guanidine
CID 122097518
1-cyclopentyl-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine
CID 119151899
2-[(1-cyanocyclobutyl)methyl]-1-(3,5-dimethylphenyl)guanidine
CID 122099503
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine?
The IUPAC name of 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine (CID 122099517) is 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine.
What is the SMILES notation for 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine?
The canonical SMILES for 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine is N#CC1(C/N=C(\N)NC2CCCCCC2)CCC1.
What is the InChIKey of 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine?
The InChIKey is QUTUFLYUDUFIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c15-10-14(8-5-9-14)11-17-13(16)18-12-6-3-1-2-4-7-12/h12H,1-9,11H2,(H3,16,17,18).
What are the key properties of 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine?
2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine has a molecular weight of 248.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyanocyclobutyl)methyl]-1-cycloheptylguanidine is sourced from PubChem (CID 122099517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).