N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine

C16H29N3 — CID 56997392

IUPACN-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCNCCC1CCN(C2(C(C)C)C=CC=N2)CC1
InChIInChI=1S/C16H29N3/c1-4-17-11-6-15-7-12-19(13-8-15)16(14(2)3)9-5-10-18-16/h5,9-10,14-15,17H,4,6-8,11-13H2,1-3H3
InChIKeyIQTJDIOWBLPONC-UHFFFAOYSA-N
MW263.43 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine

N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine (PubChem CID 56997392) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
PubChem CID56997392
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
SMILESCCNCCC1CCN(C2(C(C)C)C=CC=N2)CC1
InChIInChI=1S/C16H29N3/c1-4-17-11-6-15-7-12-19(13-8-15)16(14(2)3)9-5-10-18-16/h5,9-10,14-15,17H,4,6-8,11-13H2,1-3H3
InChIKeyIQTJDIOWBLPONC-UHFFFAOYSA-N
XLogP2.69
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine 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-propan-2-yl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56978901
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N,N-dimethylpropan-1-amine
CID 56980713
N-methyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 56997506
N-[2-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]ethyl]-N-propylpropan-1-amine
CID 56997952
N,N-diethyl-3-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 56998265
2-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylethanamine
CID 57000243
N-ethyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57010683
N-methyl-3-[1-(2-methylpyrrol-2-yl)piperidin-4-yl]propan-1-amine
CID 57014066
N,N-dimethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57029224
2-[1-(2-Ethylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57032140
3-[1-(2-ethylpyrrol-2-yl)piperidin-4-yl]-N-methylpropan-1-amine
CID 57034237
N,N-diethyl-2-[1-(2-propylpyrrol-2-yl)piperidin-4-yl]ethanamine
CID 57044203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine (CID 56997392) is N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine is CCNCCC1CCN(C2(C(C)C)C=CC=N2)CC1.
What is the InChIKey of N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine?
The InChIKey is IQTJDIOWBLPONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-17-11-6-15-7-12-19(13-8-15)16(14(2)3)9-5-10-18-16/h5,9-10,14-15,17H,4,6-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine?
N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine has a molecular weight of 263.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(2-propan-2-ylpyrrol-2-yl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 56997392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).