N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine

C17H31N3 — CID 79108467

IUPACN-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(CCN2CCCCC2)c1
InChIInChI=1S/C17H31N3/c1-3-8-17(18-4-2)16-9-12-20(15-16)14-13-19-10-6-5-7-11-19/h9,12,15,17-18H,3-8,10-11,13-14H2,1-2H3
InChIKeyJJEIIJSSNONHGS-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.42
Rot. Bonds8

About N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine

N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine (PubChem CID 79108467) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
PubChem CID79108467
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine
SMILESCCCC(NCC)c1ccn(CCN2CCCCC2)c1
InChIInChI=1S/C17H31N3/c1-3-8-17(18-4-2)16-9-12-20(15-16)14-13-19-10-6-5-7-11-19/h9,12,15,17-18H,3-8,10-11,13-14H2,1-2H3
InChIKeyJJEIIJSSNONHGS-UHFFFAOYSA-N
XLogP3.42
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-[1-(2-piperidin-1-ylethyl)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

Related Compounds

N-ethyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109421
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
3-[3-[1-(ethylamino)butyl]pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79110051
N-ethyl-1-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]butan-1-amine
CID 79108123
N-ethyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]butan-1-amine
CID 79109741
1-(4-bromophenyl)-N-ethyl-3-piperidin-1-ylpropan-1-amine
CID 62618198
1-[1-[(4-bromophenyl)methyl]pyrrol-3-yl]-N-ethylbutan-1-amine
CID 79108311
2-methyl-1-[1-(2-pyrrolidin-1-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79096939
1-(4-chlorophenyl)-N-(2-piperidin-1-ylethyl)butan-1-amine
CID 63454308
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79109745
1-phenyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 43098185
1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]butan-1-ol
CID 79110104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine (CID 79108467) is N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine is CCCC(NCC)c1ccn(CCN2CCCCC2)c1.
What is the InChIKey of N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine?
The InChIKey is JJEIIJSSNONHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-3-8-17(18-4-2)16-9-12-20(15-16)14-13-19-10-6-5-7-11-19/h9,12,15,17-18H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine?
N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-piperidin-1-ylethyl)pyrrol-3-yl]butan-1-amine is sourced from PubChem (CID 79108467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).