1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C14H28N4O — CID 111028558

IUPAC1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCC(C)(C/N=C(\N)NCC1CCC1)N1CCOCC1
InChIInChI=1S/C14H28N4O/c1-14(2,18-6-8-19-9-7-18)11-17-13(15)16-10-12-4-3-5-12/h12H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyVRRDHALSNBCLNY-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.80
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine

1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111028558) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111028558
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCC(C)(C/N=C(\N)NCC1CCC1)N1CCOCC1
InChIInChI=1S/C14H28N4O/c1-14(2,18-6-8-19-9-7-18)11-17-13(15)16-10-12-4-3-5-12/h12H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyVRRDHALSNBCLNY-UHFFFAOYSA-N
XLogP0.80
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.80
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-(2-methyl-2-morpholin-4-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028508
1-(2-methoxyethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 51131421
1-cyclobutyl-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 119146336
1-(cyclobutylmethyl)-2-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]guanidine
CID 122098998
2-(2-methyl-2-piperidin-1-ylpropyl)-1-(2-methylpropyl)guanidine
CID 111028794
1-(cyclobutylmethyl)-2-[(4-methyloxan-4-yl)methyl]guanidine;hydroiodide
CID 119152239
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine
CID 111313642
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111139868
2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-(2-methylpropyl)guanidine
CID 111080175
1-(3,4-dimethoxyphenyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111028540
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110913680
2-(cyclobutylmethyl)-1-[(1-methylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111086790

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111028558) is 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CC(C)(C/N=C(\N)NCC1CCC1)N1CCOCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is VRRDHALSNBCLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-14(2,18-6-8-19-9-7-18)11-17-13(15)16-10-12-4-3-5-12/h12H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 268.40 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111028558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).