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

C15H30N4O — CID 110982307

IUPAC1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CN(CC(C)C)CCO1)NCC
InChIInChI=1S/C15H30N4O/c1-5-7-17-15(16-6-2)18-10-14-12-19(8-9-20-14)11-13(3)4/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyNCSOMVJZUFBQEU-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.08
Rot. Bonds7

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

1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine (PubChem CID 110982307) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
PubChem CID110982307
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
SMILESC=CCN/C(=N/CC1CN(CC(C)C)CCO1)NCC
InChIInChI=1S/C15H30N4O/c1-5-7-17-15(16-6-2)18-10-14-12-19(8-9-20-14)11-13(3)4/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18)
InChIKeyNCSOMVJZUFBQEU-UHFFFAOYSA-N
XLogP1.08
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.08
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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Related Compounds

1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine;hydroiodide
CID 111227826
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
1-(3-cyclopropylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111796988
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 110958750
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 111495132
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
2-cyclohexyl-N-[2-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111369787
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667214
4-acetyl-N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 110963591
N-cyclohexyl-3-[[N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]carbamimidoyl]amino]propanamide
CID 111368789
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111767145

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The IUPAC name of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine (CID 110982307) is 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The canonical SMILES for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine is C=CCN/C(=N/CC1CN(CC(C)C)CCO1)NCC.
What is the InChIKey of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
The InChIKey is NCSOMVJZUFBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-7-17-15(16-6-2)18-10-14-12-19(8-9-20-14)11-13(3)4/h5,13-14H,1,6-12H2,2-4H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine?
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine has a molecular weight of 282.43 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine is sourced from PubChem (CID 110982307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).