1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

C19H36N6O — CID 111369209

IUPAC1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCCn1cc(C)cn1
InChIInChI=1S/C19H36N6O/c1-5-20-19(21-7-6-8-25-14-17(4)11-23-25)22-12-18-15-24(9-10-26-18)13-16(2)3/h11,14,16,18H,5-10,12-13,15H2,1-4H3,(H2,20,21,22)
InChIKeyIATNJQJUWSAKLB-UHFFFAOYSA-N
MW364.54 g/mol
LogP1.49
Rot. Bonds9

About 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine

1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (PubChem CID 111369209) has the molecular formula C19H36N6O and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
PubChem CID111369209
Molecular FormulaC19H36N6O
Molecular Weight364.54 g/mol
Exact Mass364.30
IUPAC Name1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)NCCCn1cc(C)cn1
InChIInChI=1S/C19H36N6O/c1-5-20-19(21-7-6-8-25-14-17(4)11-23-25)22-12-18-15-24(9-10-26-18)13-16(2)3/h11,14,16,18H,5-10,12-13,15H2,1-4H3,(H2,20,21,22)
InChIKeyIATNJQJUWSAKLB-UHFFFAOYSA-N
XLogP1.49
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-ethyl-3-[3-(4-methylpyrazol-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111137835
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-(3-cyclopropylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111796988
1-ethyl-3-[3-(4-hydroxyphenyl)propyl]-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111797012
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111767145
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111369988
1-ethyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369587
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(oxan-4-yloxy)propyl]guanidine
CID 111667214
1-(3-benzylsulfonylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111368488
1-[2-(benzenesulfonyl)ethyl]-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369133
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]guanidine
CID 111767173

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The IUPAC name of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine (CID 111369209) is 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The canonical SMILES for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is CCN/C(=N\CC1CN(CC(C)C)CCO1)NCCCn1cc(C)cn1.
What is the InChIKey of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
The InChIKey is IATNJQJUWSAKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N6O/c1-5-20-19(21-7-6-8-25-14-17(4)11-23-25)22-12-18-15-24(9-10-26-18)13-16(2)3/h11,14,16,18H,5-10,12-13,15H2,1-4H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine?
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine has a molecular weight of 364.54 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine is sourced from PubChem (CID 111369209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).