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

C10H22N4O — CID 110913680

IUPAC2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\N)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C10H22N4O/c1-10(2,8-13-9(11)12-3)14-4-6-15-7-5-14/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyNSSJNWOCEITFCO-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.37
Rot. Bonds3

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

2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 110913680) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID110913680
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\N)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C10H22N4O/c1-10(2,8-13-9(11)12-3)14-4-6-15-7-5-14/h4-8H2,1-3H3,(H3,11,12,13)
InChIKeyNSSJNWOCEITFCO-UHFFFAOYSA-N
XLogP-0.37
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.37
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

2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
1-butan-2-yl-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 110945070
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835014
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
1-(5,5-dimethylhexyl)-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315930
N',3,3-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739407
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111830300
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
2-methyl-1-[(4-methylcyclohexyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313640
1-hexyl-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111161052
2-methyl-N-[2-[[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]propanamide
CID 111314282

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 110913680) is 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine is C/N=C(\N)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is NSSJNWOCEITFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-10(2,8-13-9(11)12-3)14-4-6-15-7-5-14/h4-8H2,1-3H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 214.31 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110913680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).