1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine

C12H22N2O — CID 79105663

IUPAC1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine
SMILESCCOCCCn1ccc(C(N)CC)c1
InChIInChI=1S/C12H22N2O/c1-3-12(13)11-6-8-14(10-11)7-5-9-15-4-2/h6,8,10,12H,3-5,7,9,13H2,1-2H3
InChIKeyBARHAHWWNCVYOY-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.32
Rot. Bonds7

About 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine

1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105663) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105663
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine
SMILESCCOCCCn1ccc(C(N)CC)c1
InChIInChI=1S/C12H22N2O/c1-3-12(13)11-6-8-14(10-11)7-5-9-15-4-2/h6,8,10,12H,3-5,7,9,13H2,1-2H3
InChIKeyBARHAHWWNCVYOY-UHFFFAOYSA-N
XLogP2.32
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(3-ethoxypropyl)pyrrol-3-yl]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

Related Compounds

1-(1-octylpyrrol-3-yl)propan-1-amine
CID 79105838
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]butan-1-amine
CID 103411315
1-[1-(3-methylsulfonylpropyl)pyrrol-3-yl]propan-1-amine
CID 79105038
1-[1-(2-phenoxyethyl)pyrrol-3-yl]propan-1-amine
CID 79105842
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]propan-1-amine
CID 79104699
1-[1-(2-phenylsulfanylethyl)pyrrol-3-yl]propan-1-amine
CID 79228556
5-[3-(1-aminopropyl)pyrrol-1-yl]-2,2-dimethylpentanenitrile
CID 79104614
4-[3-(1-aminopropyl)pyrrol-1-yl]-2-methylbutan-2-ol
CID 79355721
1-[4-(3-ethoxypropoxy)phenyl]propan-1-amine
CID 65175902
N-ethyl-2-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]propan-1-amine
CID 79109121
1-[1-(3-methylbutyl)pyrrol-3-yl]butan-1-amine
CID 79107801
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 79104875

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine (CID 79105663) is 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine is CCOCCCn1ccc(C(N)CC)c1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is BARHAHWWNCVYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(13)11-6-8-14(10-11)7-5-9-15-4-2/h6,8,10,12H,3-5,7,9,13H2,1-2H3.
What are the key properties of 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine?
1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).