1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

C11H22IN3O — CID 119146298

IUPAC1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCO1)NC1CCC1.I
InChIInChI=1S/C11H21N3O.HI/c1-12-11(14-9-4-2-5-9)13-8-10-6-3-7-15-10;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeyABEHWUBHBODAIC-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.50
Rot. Bonds3

About 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide

1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 119146298) has the molecular formula C11H22IN3O and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
PubChem CID119146298
Molecular FormulaC11H22IN3O
Molecular Weight339.22 g/mol
Exact Mass339.08
IUPAC Name1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCC1CCCO1)NC1CCC1.I
InChIInChI=1S/C11H21N3O.HI/c1-12-11(14-9-4-2-5-9)13-8-10-6-3-7-15-10;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H
InChIKeyABEHWUBHBODAIC-UHFFFAOYSA-N
XLogP1.50
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.50
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(cyclobutylmethyl)-2-methyl-3-(oxan-2-ylmethyl)guanidine
CID 119151375
1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
1-cyclohexyl-2-methyl-3-[2-(oxolan-2-ylmethoxy)ethyl]guanidine;hydroiodide
CID 111546556
1-cyano-2-methyl-3-[[(2S)-oxolan-2-yl]methyl]guanidine
CID 7171863
3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110990068
1-(2,2-dicyclopropylethyl)-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111500027
N-[2-[[N'-methyl-N-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111138286
2-methyl-1-(oxolan-2-ylmethyl)-3-pent-3-enylguanidine;hydroiodide
CID 111587832
2-[[(cyclopentylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111495888
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-(oxolan-2-ylmethyl)guanidine
CID 111610740
1-[1-(2-bromophenyl)pyrrolidin-3-yl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111922528
2-methyl-1-(oxolan-2-ylmethyl)-3-pent-3-enylguanidine
CID 111587833

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide (CID 119146298) is 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is C/N=C(\NCC1CCCO1)NC1CCC1.I.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is ABEHWUBHBODAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.HI/c1-12-11(14-9-4-2-5-9)13-8-10-6-3-7-15-10;/h9-10H,2-8H2,1H3,(H2,12,13,14);1H.
What are the key properties of 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide?
1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 339.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 119146298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).