2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine

C14H28N4O — CID 75511916

IUPAC2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C14H28N4O/c1-5-6-16-14(15-4)17-9-13-11-18(7-8-19-13)10-12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeyXSQIKRSAJGREQR-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.69
Rot. Bonds6

About 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine

2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine (PubChem CID 75511916) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
PubChem CID75511916
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C14H28N4O/c1-5-6-16-14(15-4)17-9-13-11-18(7-8-19-13)10-12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17)
InChIKeyXSQIKRSAJGREQR-UHFFFAOYSA-N
XLogP0.69
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.69
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The IUPAC name of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine (CID 75511916) is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine is C=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The InChIKey is XSQIKRSAJGREQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-5-6-16-14(15-4)17-9-13-11-18(7-8-19-13)10-12(2)3/h5,12-13H,1,6-11H2,2-4H3,(H2,15,16,17).
What are the key properties of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine has a molecular weight of 268.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 75511916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).