N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine

C12H22N2O — CID 79107829

IUPACN-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(COC)c1
InChIInChI=1S/C12H22N2O/c1-4-6-12(13-5-2)11-7-8-14(9-11)10-15-3/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyOEWJPJNUGDHJJL-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.54
Rot. Bonds7

About N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine

N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79107829) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79107829
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(COC)c1
InChIInChI=1S/C12H22N2O/c1-4-6-12(13-5-2)11-7-8-14(9-11)10-15-3/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyOEWJPJNUGDHJJL-UHFFFAOYSA-N
XLogP2.54
TPSA26.19 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-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 N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine (CID 79107829) is N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(COC)c1.
What is the InChIKey of N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is OEWJPJNUGDHJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-6-12(13-5-2)11-7-8-14(9-11)10-15-3/h7-9,12-13H,4-6,10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79107829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).