2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine

C12H24N4O — CID 100673026

IUPAC2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C12H24N4O/c1-11(2)10-15-12(13)14-4-3-5-16-6-8-17-9-7-16/h1,3-10H2,2H3,(H3,13,14,15)
InChIKeyHOWYUHSUMAHFGB-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.19
Rot. Bonds6

About 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine

2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 100673026) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine
PubChem CID100673026
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine
SMILESC=C(C)C/N=C(\N)NCCCN1CCOCC1
InChIInChI=1S/C12H24N4O/c1-11(2)10-15-12(13)14-4-3-5-16-6-8-17-9-7-16/h1,3-10H2,2H3,(H3,13,14,15)
InChIKeyHOWYUHSUMAHFGB-UHFFFAOYSA-N
XLogP0.19
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.19
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine (CID 100673026) is 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine is C=C(C)C/N=C(\N)NCCCN1CCOCC1.
What is the InChIKey of 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is HOWYUHSUMAHFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11(2)10-15-12(13)14-4-3-5-16-6-8-17-9-7-16/h1,3-10H2,2H3,(H3,13,14,15).
What are the key properties of 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine?
2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 240.35 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)-1-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 100673026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).