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

C14H29IN4O — CID 75511915

IUPAC2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1.I
InChIInChI=1S/C14H28N4O.HI/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);1H
InChIKeyCCEGFOQFLCOSSD-UHFFFAOYSA-N
MW396.32 g/mol
LogP1.31
Rot. Bonds6

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

2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide (PubChem CID 75511915) has the molecular formula C14H29IN4O and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide
PubChem CID75511915
Molecular FormulaC14H29IN4O
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide
SMILESC=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1.I
InChIInChI=1S/C14H28N4O.HI/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);1H
InChIKeyCCEGFOQFLCOSSD-UHFFFAOYSA-N
XLogP1.31
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 51.31
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': 'iodine', '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;hydroiodide?
The IUPAC name of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide (CID 75511915) is 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide is C=CCN/C(=N\C)NCC1CN(CC(C)C)CCO1.I.
What is the InChIKey of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide?
The InChIKey is CCEGFOQFLCOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O.HI/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);1H.
What are the key properties of 2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide?
2-methyl-1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine;hydroiodide has a molecular weight of 396.32 g/mol, XLogP of 1.31, 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;hydroiodide is sourced from PubChem (CID 75511915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).