N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide

C17H32N4O2 — CID 119142705

IUPACN-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCCO1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H32N4O2/c1-2-18-17(19-13-16-5-3-4-10-23-16)21-7-6-15(14-21)20-8-11-22-12-9-20/h15-16H,2-14H2,1H3,(H,18,19)
InChIKeyRBNFHMFIMXEBQP-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.93
Rot. Bonds4

About N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide

N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 119142705) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID119142705
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCCO1)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C17H32N4O2/c1-2-18-17(19-13-16-5-3-4-10-23-16)21-7-6-15(14-21)20-8-11-22-12-9-20/h15-16H,2-14H2,1H3,(H,18,19)
InChIKeyRBNFHMFIMXEBQP-UHFFFAOYSA-N
XLogP0.93
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.93
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

N-ethyl-N'-(oxan-2-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143124
N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726891
N-[2-(furan-2-yl)ethyl]-3-morpholin-4-yl-N'-(oxolan-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110054873
N-ethyl-3-morpholin-4-yl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyrrolidine-1-carboximidamide
CID 119156119
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111728063
N-ethyl-N'-[2-methyl-2-(4-methylphenyl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725947
2-[[ethylamino-(3-morpholin-4-ylpyrrolidin-1-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111728018
N-ethyl-N'-(oxolan-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143133
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)ethyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728468
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728062
N'-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726843
N-ethyl-N'-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727978

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide (CID 119142705) is N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC1CCCCO1)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is RBNFHMFIMXEBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-2-18-17(19-13-16-5-3-4-10-23-16)21-7-6-15(14-21)20-8-11-22-12-9-20/h15-16H,2-14H2,1H3,(H,18,19).
What are the key properties of N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide?
N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 324.47 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 119142705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).