N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine

C13H23N3 — CID 144720927

IUPACN-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine
SMILESCCC1=CC(NC2CC(C)NC(C)C2)=NC1
InChIInChI=1S/C13H23N3/c1-4-11-7-13(14-8-11)16-12-5-9(2)15-10(3)6-12/h7,9-10,12,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyMAKZWNQBDKHNEN-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.85
Rot. Bonds2

About N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine

N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine (PubChem CID 144720927) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine
PubChem CID144720927
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine
SMILESCCC1=CC(NC2CC(C)NC(C)C2)=NC1
InChIInChI=1S/C13H23N3/c1-4-11-7-13(14-8-11)16-12-5-9(2)15-10(3)6-12/h7,9-10,12,15H,4-6,8H2,1-3H3,(H,14,16)
InChIKeyMAKZWNQBDKHNEN-UHFFFAOYSA-N
XLogP1.85
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-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-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine
CID 91487969
5,7-dimethyl-2-[(2S)-piperidin-2-yl]-3a,7a-dihydro-1H-imidazo[4,5-b]pyridine
CID 118333076
6-methyl-4,5,6,7-tetrahydro-2H-pyrrolo[2,3-b]pyridine
CID 123158436
N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
CID 147429113
(3Z)-N-methyl-3-propylidenepiperidin-2-imine
CID 147785684
N-methyl-3-methylidene-4-piperidin-1-yl-2,4-dihydro-1H-azepin-7-imine
CID 177223318
N-(cyclohexen-1-ylmethyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 133620858
(E)-N',3-dimethyl-N-pentylpent-2-enimidamide
CID 142951324
N-(3-ethyl-2H-pyrrol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 144720712

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine?
The IUPAC name of N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine (CID 144720927) is N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine is CCC1=CC(NC2CC(C)NC(C)C2)=NC1.
What is the InChIKey of N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine?
The InChIKey is MAKZWNQBDKHNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11-7-13(14-8-11)16-12-5-9(2)15-10(3)6-12/h7,9-10,12,15H,4-6,8H2,1-3H3,(H,14,16).
What are the key properties of N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine?
N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine has a molecular weight of 221.35 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2H-pyrrol-5-yl)-2,6-dimethylpiperidin-4-amine is sourced from PubChem (CID 144720927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).