1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine

C12H23N3O — CID 119147546

IUPAC1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)NCC2CCC2)CCOC1
InChIInChI=1S/C12H23N3O/c1-12(5-6-16-9-12)8-15-11(13)14-7-10-3-2-4-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyFKRFUTILFZRGDB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.12
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine

1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine (PubChem CID 119147546) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
PubChem CID119147546
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine
SMILESCC1(C/N=C(\N)NCC2CCC2)CCOC1
InChIInChI=1S/C12H23N3O/c1-12(5-6-16-9-12)8-15-11(13)14-7-10-3-2-4-10/h10H,2-9H2,1H3,(H3,13,14,15)
InChIKeyFKRFUTILFZRGDB-UHFFFAOYSA-N
XLogP1.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.12
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-(cyclobutylmethyl)-2-[(4-methyloxan-4-yl)methyl]guanidine;hydroiodide
CID 119152239
1-cyclopentyl-2-[(3-methyloxolan-3-yl)methyl]guanidine;hydroiodide
CID 119147527
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098998
1-(cyclobutylmethyl)-2-[(1-methoxycyclobutyl)methyl]guanidine;hydroiodide
CID 110017961
1-(cyclobutylmethyl)-2-[(2-hydroxy-1-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 111751788
1-(cyclobutylmethyl)-2-[[1-(difluoromethyl)cyclopropyl]methyl]guanidine
CID 120662388
1-(cyclobutylmethyl)-2-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111722110
1-[[[amino-(cyclobutylmethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111812072
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790
2-[(4-methyloxan-4-yl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 119152246
1-(cyclobutylmethyl)-2-[[4-(2,4-dichlorophenyl)oxan-4-yl]methyl]guanidine;hydroiodide
CID 111081399
1-cyclohexyl-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111810434

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine (CID 119147546) is 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine is CC1(C/N=C(\N)NCC2CCC2)CCOC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine?
The InChIKey is FKRFUTILFZRGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-12(5-6-16-9-12)8-15-11(13)14-7-10-3-2-4-10/h10H,2-9H2,1H3,(H3,13,14,15).
What are the key properties of 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine?
1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine has a molecular weight of 225.34 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(3-methyloxolan-3-yl)methyl]guanidine is sourced from PubChem (CID 119147546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).