N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide

C18H36N4O2 — CID 111735693

IUPACN-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCC(COC)C1
InChIInChI=1S/C18H36N4O2/c1-5-19-18(22-7-6-16(12-22)14-23-4)20-10-17-13-21(8-9-24-17)11-15(2)3/h15-17H,5-14H2,1-4H3,(H,19,20)
InChIKeyQWLVMLMXSHJAPL-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.28
Rot. Bonds7

About N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide

N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide (PubChem CID 111735693) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
PubChem CID111735693
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC NameN-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCC(COC)C1
InChIInChI=1S/C18H36N4O2/c1-5-19-18(22-7-6-16(12-22)14-23-4)20-10-17-13-21(8-9-24-17)11-15(2)3/h15-17H,5-14H2,1-4H3,(H,19,20)
InChIKeyQWLVMLMXSHJAPL-UHFFFAOYSA-N
XLogP1.28
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-ethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboximidamide
CID 110963591
N,2-diethyl-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486269
3-ethyl-1,1-dimethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369255
N-ethyl-N'-(2-methoxyethyl)-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111736890
N-ethyl-3-(methoxymethyl)-N'-[(2-methylcyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119143385
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-propylguanidine
CID 111227827
1-cyclohexyl-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 110958751
1-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-prop-2-enylguanidine
CID 110982307
1-(3-cyclopropylpropyl)-3-ethyl-2-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111796988
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;hydroiodide
CID 110958750
N'-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide
CID 111525612

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide (CID 111735693) is N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CC1CN(CC(C)C)CCO1)N1CCC(COC)C1.
What is the InChIKey of N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
The InChIKey is QWLVMLMXSHJAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-5-19-18(22-7-6-16(12-22)14-23-4)20-10-17-13-21(8-9-24-17)11-15(2)3/h15-17H,5-14H2,1-4H3,(H,19,20).
What are the key properties of N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide has a molecular weight of 340.51 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(methoxymethyl)-N'-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111735693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).