N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide

C21H39N5O2 — CID 119156119

IUPACN-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H39N5O2/c1-2-22-20(25-10-5-19(17-25)24-11-15-28-16-12-24)23-18-21(6-13-27-14-7-21)26-8-3-4-9-26/h19H,2-18H2,1H3,(H,22,23)
InChIKeyLVZFERDSVXWDHH-UHFFFAOYSA-N
MW393.58 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide

N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide (PubChem CID 119156119) has the molecular formula C21H39N5O2 and a molecular weight of 393.58 g/mol. Its IUPAC name is N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
PubChem CID119156119
Molecular FormulaC21H39N5O2
Molecular Weight393.58 g/mol
Exact Mass393.31
IUPAC NameN-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C21H39N5O2/c1-2-22-20(25-10-5-19(17-25)24-11-15-28-16-12-24)23-18-21(6-13-27-14-7-21)26-8-3-4-9-26/h19H,2-18H2,1H3,(H,22,23)
InChIKeyLVZFERDSVXWDHH-UHFFFAOYSA-N
XLogP1.00
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide
CID 119155797
N-ethyl-3-(1-methylpyrazol-4-yl)-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156365
N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726891
N-ethyl-N'-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727672
N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 119142705
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728332
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111728018
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N-ethyl-N'-(oxolan-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143133
N'-(2-butoxyethyl)-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728652
N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143161
N'-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142744

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide (CID 119156119) is N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CC1(N2CCCC2)CCOCC1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide?
The InChIKey is LVZFERDSVXWDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O2/c1-2-22-20(25-10-5-19(17-25)24-11-15-28-16-12-24)23-18-21(6-13-27-14-7-21)26-8-3-4-9-26/h19H,2-18H2,1H3,(H,22,23).
What are the key properties of N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide?
N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide has a molecular weight of 393.58 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119156119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).