3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

C12H21N3O — CID 60662751

IUPAC3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESc1c[nH]c(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H21N3O/c1-3-12(14-5-1)11-13-4-2-6-15-7-9-16-10-8-15/h1,3,5,13-14H,2,4,6-11H2
InChIKeyLNUIPOVWQMDVLE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.83
Rot. Bonds6

About 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine

3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (PubChem CID 60662751) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
PubChem CID60662751
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
SMILESc1c[nH]c(CNCCCN2CCOCC2)c1
InChIInChI=1S/C12H21N3O/c1-3-12(14-5-1)11-13-4-2-6-15-7-9-16-10-8-15/h1,3,5,13-14H,2,4,6-11H2
InChIKeyLNUIPOVWQMDVLE-UHFFFAOYSA-N
XLogP0.83
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine (CID 60662751) is 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is c1c[nH]c(CNCCCN2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
The InChIKey is LNUIPOVWQMDVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-12(14-5-1)11-13-4-2-6-15-7-9-16-10-8-15/h1,3,5,13-14H,2,4,6-11H2.
What are the key properties of 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(1H-pyrrol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 60662751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).