N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide

C16H32N4O — CID 111739906

IUPACN-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCC(C)(C)C1
InChIInChI=1S/C16H32N4O/c1-5-17-15(20-7-6-16(3,4)13-20)18-12-14(2)19-8-10-21-11-9-19/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyNKCKYHWBGSFVKK-UHFFFAOYSA-N
MW296.46 g/mol
LogP1.40
Rot. Bonds4

About N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide

N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide (PubChem CID 111739906) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
PubChem CID111739906
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC NameN-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)N1CCC(C)(C)C1
InChIInChI=1S/C16H32N4O/c1-5-17-15(20-7-6-16(3,4)13-20)18-12-14(2)19-8-10-21-11-9-19/h14H,5-13H2,1-4H3,(H,17,18)
InChIKeyNKCKYHWBGSFVKK-UHFFFAOYSA-N
XLogP1.40
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-2,2,3,3-tetramethyl-N'-(2-morpholin-4-ylpropyl)azetidine-1-carboximidamide;hydroiodide
CID 109452120
N-ethyl-3,3-dimethyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111738535
methyl 1-[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254653
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
N-ethyl-3-methyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111145731
N-ethyl-N'-(2-morpholin-4-ylpropyl)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119144365
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
4-benzyl-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperazine-1-carboximidamide
CID 110959577
4-benzylidene-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 109414390
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111995001

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide (CID 111739906) is N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CC(C)N1CCOCC1)N1CCC(C)(C)C1.
What is the InChIKey of N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
The InChIKey is NKCKYHWBGSFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-17-15(20-7-6-16(3,4)13-20)18-12-14(2)19-8-10-21-11-9-19/h14H,5-13H2,1-4H3,(H,17,18).
What are the key properties of N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide?
N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide has a molecular weight of 296.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N'-(2-morpholin-4-ylpropyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).