1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

C15H31IN4O — CID 109469693

IUPAC1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCC2CN(C)CCO2)CCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-4-15(6-5-7-15)12-18-14(16-2)17-10-13-11-19(3)8-9-20-13;/h13H,4-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyLDAIOJHIONPVSV-UHFFFAOYSA-N
MW410.34 g/mol
LogP1.68
Rot. Bonds5

About 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 109469693) has the molecular formula C15H31IN4O and a molecular weight of 410.34 g/mol. Its IUPAC name is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
PubChem CID109469693
Molecular FormulaC15H31IN4O
Molecular Weight410.34 g/mol
Exact Mass410.15
IUPAC Name1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
SMILESCCC1(CN/C(=N\C)NCC2CN(C)CCO2)CCC1.I
InChIInChI=1S/C15H30N4O.HI/c1-4-15(6-5-7-15)12-18-14(16-2)17-10-13-11-19(3)8-9-20-13;/h13H,4-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyLDAIOJHIONPVSV-UHFFFAOYSA-N
XLogP1.68
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 109470633
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109470959
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109469675
N,N-dimethyl-1-[[[N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111569999
1-(2-ethylbutyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111891427
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109470361
1-cyclopentyl-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110991009
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine
CID 109470362
[1-[[(4-methylmorpholin-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419179
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 109470017
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine
CID 111687386
1-(3-methoxypropyl)-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110974815

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (CID 109469693) is 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is CCC1(CN/C(=N\C)NCC2CN(C)CCO2)CCC1.I.
What is the InChIKey of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is LDAIOJHIONPVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.HI/c1-4-15(6-5-7-15)12-18-14(16-2)17-10-13-11-19(3)8-9-20-13;/h13H,4-12H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?
1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 410.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylcyclobutyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109469693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).