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

C11H23N3O — CID 111828269

IUPAC2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NCC(C)C)NCC1(C)COC1
InChIInChI=1S/C11H23N3O/c1-9(2)5-13-10(12-4)14-6-11(3)7-15-8-11/h9H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyPJMAXXFQSCNALW-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.84
Rot. Bonds4

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

2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine (PubChem CID 111828269) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
PubChem CID111828269
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine
SMILESC/N=C(\NCC(C)C)NCC1(C)COC1
InChIInChI=1S/C11H23N3O/c1-9(2)5-13-10(12-4)14-6-11(3)7-15-8-11/h9H,5-8H2,1-4H3,(H2,12,13,14)
InChIKeyPJMAXXFQSCNALW-UHFFFAOYSA-N
XLogP0.84
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.84
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

2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111830858
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 109470732
N-tert-butyl-2-[[N'-methyl-N-[(3-methyloxetan-3-yl)methyl]carbamimidoyl]amino]acetamide
CID 111831722
1-cyclopentyl-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826643
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-[3-(4-propan-2-ylphenyl)propyl]guanidine
CID 111979977
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111826817
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 109468657
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111826816
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111830300
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111122374
1-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111830180
2-[(3-methyloxetan-3-yl)methylamino]-N-(2-methylpropyl)propanamide
CID 78957482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine (CID 111828269) is 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine is C/N=C(\NCC(C)C)NCC1(C)COC1.
What is the InChIKey of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is PJMAXXFQSCNALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(2)5-13-10(12-4)14-6-11(3)7-15-8-11/h9H,5-8H2,1-4H3,(H2,12,13,14).
What are the key properties of 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine?
2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyloxetan-3-yl)methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 111828269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).