1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine

C11H21N3O — CID 43348237

IUPAC1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCN1CCOCC1
InChIInChI=1S/C11H21N3O/c12-11-3-1-5-14(11)6-2-4-13-7-9-15-10-8-13/h12H,1-10H2/b12-11+
InChIKeyWAKRFODVCVCASD-VAWYXSNFSA-N
MW211.31 g/mol
LogP0.78
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine

1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine (PubChem CID 43348237) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine
PubChem CID43348237
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCCN1CCOCC1
InChIInChI=1S/C11H21N3O/c12-11-3-1-5-14(11)6-2-4-13-7-9-15-10-8-13/h12H,1-10H2/b12-11+
InChIKeyWAKRFODVCVCASD-VAWYXSNFSA-N
XLogP0.78
TPSA39.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Morpholinobutanamidine
CID 24704187
2-Methyl-1-morpholin-4-ylpropan-1-imine
CID 57640524
N-methyl-N-(3-morpholin-4-ylpropyl)ethanimidamide
CID 59020720
4-(1-Pyrrolidin-1-ium-1-ylideneethyl)morpholine
CID 59360877
1-Morpholin-4-ylbutan-1-imine
CID 62047580
1-(2,6-Dimethylmorpholin-4-yl)propan-1-imine
CID 62047937
2-Methyl-1-morpholin-4-ylbutan-1-imine
CID 63718006
4-Ethylmorpholine;2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
CID 70521792
N-(1-morpholin-4-ylpropylidene)ethanimidamide
CID 123802494
1-[(3R)-3-methylmorpholin-4-yl]propan-1-imine
CID 167020326
Morpholin-4-yl(pyrrolidin-1-yl)methanimine
CID 176964346
1-(1-Methoxypropan-2-yl)pyrrolidin-2-imine
CID 43121919

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine (CID 43348237) is 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine is [H]/N=C1\CCCN1CCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine?
The InChIKey is WAKRFODVCVCASD-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11-3-1-5-14(11)6-2-4-13-7-9-15-10-8-13/h12H,1-10H2/b12-11+.
What are the key properties of 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine?
1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine has a molecular weight of 211.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)pyrrolidin-2-imine is sourced from PubChem (CID 43348237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).