2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine

C9H17N3O — CID 141358011

IUPAC2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine
SMILESNC1=CNC(CN2CCOCC2)C1
InChIInChI=1S/C9H17N3O/c10-8-5-9(11-6-8)7-12-1-3-13-4-2-12/h6,9,11H,1-5,7,10H2
InChIKeyLKNZFODYNSFAET-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.52
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine

2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine (PubChem CID 141358011) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine
PubChem CID141358011
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine
SMILESNC1=CNC(CN2CCOCC2)C1
InChIInChI=1S/C9H17N3O/c10-8-5-9(11-6-8)7-12-1-3-13-4-2-12/h6,9,11H,1-5,7,10H2
InChIKeyLKNZFODYNSFAET-UHFFFAOYSA-N
XLogP-0.52
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine (CID 141358011) is 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine is NC1=CNC(CN2CCOCC2)C1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine?
The InChIKey is LKNZFODYNSFAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-8-5-9(11-6-8)7-12-1-3-13-4-2-12/h6,9,11H,1-5,7,10H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine?
2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine has a molecular weight of 183.25 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2,3-dihydro-1H-pyrrol-4-amine is sourced from PubChem (CID 141358011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).