2-methyl-1-(3-morpholin-4-ylpropyl)guanidine

C9H20N4O — CID 62358807

IUPAC2-methyl-1-(3-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C9H20N4O/c1-11-9(10)12-3-2-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyGRVVYIOSPFAPAJ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.76
Rot. Bonds4

About 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine

2-methyl-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 62358807) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID62358807
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-methyl-1-(3-morpholin-4-ylpropyl)guanidine
SMILESC/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C9H20N4O/c1-11-9(10)12-3-2-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12)
InChIKeyGRVVYIOSPFAPAJ-UHFFFAOYSA-N
XLogP-0.76
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine (CID 62358807) is 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine is C/N=C(\N)NCCCN1CCOCC1.
What is the InChIKey of 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is GRVVYIOSPFAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-9(10)12-3-2-4-13-5-7-14-8-6-13/h2-8H2,1H3,(H3,10,11,12).
What are the key properties of 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine?
2-methyl-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 200.29 g/mol, XLogP of -0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 62358807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).