2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine

C10H20N4O — CID 110927714

IUPAC2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC1CN(C)CCO1
InChIInChI=1S/C10H20N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h3,9H,1,4-8H2,2H3,(H3,11,12,13)
InChIKeySLHTXCJSLLCOLR-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.59
Rot. Bonds4

About 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine

2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine (PubChem CID 110927714) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
PubChem CID110927714
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC1CN(C)CCO1
InChIInChI=1S/C10H20N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h3,9H,1,4-8H2,2H3,(H3,11,12,13)
InChIKeySLHTXCJSLLCOLR-UHFFFAOYSA-N
XLogP-0.59
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 79071224
2-[(4-methylmorpholin-2-yl)methyl]-1-propan-2-ylguanidine
CID 78931999
N'-[(4-methylmorpholin-2-yl)methyl]ethanimidamide
CID 78932018
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 110982307
2-[[(2S,3S)-2-ethenyloxolan-3-yl]methyl]-1-prop-2-enylguanidine
CID 122125795
2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111091294
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 111091298
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-prop-2-enylguanidine
CID 137136827
N'-[(4-methylmorpholin-2-yl)methyl]benzenecarboximidamide
CID 78932017
1-(3,4-dimethoxyphenyl)-2-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 111091297
3-methyl-N'-[(4-methylmorpholin-2-yl)methyl]piperidine-1-carboximidamide
CID 111091304
1-butan-2-yl-3-ethyl-2-[(4-methylmorpholin-2-yl)methyl]guanidine
CID 110944454

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine (CID 110927714) is 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC1CN(C)CCO1.
What is the InChIKey of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine?
The InChIKey is SLHTXCJSLLCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-4-12-10(11)13-7-9-8-14(2)5-6-15-9/h3,9H,1,4-8H2,2H3,(H3,11,12,13).
What are the key properties of 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine?
2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine has a molecular weight of 212.30 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylmorpholin-2-yl)methyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 110927714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).