1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

C19H30N4O — CID 111082843

IUPAC1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCC1CN(Cc2cccc(C/N=C(\N)NCC3CCC3)c2)CCO1
InChIInChI=1S/C19H30N4O/c1-15-13-23(8-9-24-15)14-18-7-3-6-17(10-18)12-22-19(20)21-11-16-4-2-5-16/h3,6-7,10,15-16H,2,4-5,8-9,11-14H2,1H3,(H3,20,21,22)
InChIKeyMGBXYSDIFDMSMH-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.11
Rot. Bonds6

About 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine

1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (PubChem CID 111082843) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
PubChem CID111082843
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
SMILESCC1CN(Cc2cccc(C/N=C(\N)NCC3CCC3)c2)CCO1
InChIInChI=1S/C19H30N4O/c1-15-13-23(8-9-24-15)14-18-7-3-6-17(10-18)12-22-19(20)21-11-16-4-2-5-16/h3,6-7,10,15-16H,2,4-5,8-9,11-14H2,1H3,(H3,20,21,22)
InChIKeyMGBXYSDIFDMSMH-UHFFFAOYSA-N
XLogP2.11
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.11
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'}

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Related Compounds

2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(2-methylpropyl)guanidine
CID 111082801
2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721450
1-cyclohexyl-3-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110957229
N'-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111082850
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
1-(cyclobutylmethyl)-2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047028
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110980136
1-ethyl-3-(3-methoxypropyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 110973663
1-ethyl-3-[(3-methoxyphenyl)methyl]-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine
CID 111248975
1-(cyclobutylmethyl)-2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111071676
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
1-ethyl-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111316282

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine (CID 111082843) is 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is CC1CN(Cc2cccc(C/N=C(\N)NCC3CCC3)c2)CCO1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
The InChIKey is MGBXYSDIFDMSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-15-13-23(8-9-24-15)14-18-7-3-6-17(10-18)12-22-19(20)21-11-16-4-2-5-16/h3,6-7,10,15-16H,2,4-5,8-9,11-14H2,1H3,(H3,20,21,22).
What are the key properties of 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine?
1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine has a molecular weight of 330.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]guanidine is sourced from PubChem (CID 111082843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).