N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine

C15H27N3 — CID 107913082

IUPACN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CCC2CCCCN2C)c1
InChIInChI=1S/C15H27N3/c1-3-16-12-14-7-10-18(13-14)11-8-15-6-4-5-9-17(15)2/h7,10,13,15-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyLVRPEIBIZWVLBP-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.47
Rot. Bonds6

About N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 107913082) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID107913082
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(CCC2CCCCN2C)c1
InChIInChI=1S/C15H27N3/c1-3-16-12-14-7-10-18(13-14)11-8-15-6-4-5-9-17(15)2/h7,10,13,15-16H,3-6,8-9,11-12H2,1-2H3
InChIKeyLVRPEIBIZWVLBP-UHFFFAOYSA-N
XLogP2.47
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]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

2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
CID 107913087
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
[4-[[2-(1-methylpiperidin-2-yl)ethylamino]methyl]phenyl]methanol
CID 107230971
1-cyclopropyl-N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methanamine
CID 107913107
2,2,2-trifluoro-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]ethanol
CID 107913046
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
2-(1-methylpiperidin-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 60684733
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
N-ethyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]ethanamine
CID 107912960
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine (CID 107913082) is N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(CCC2CCCCN2C)c1.
What is the InChIKey of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is LVRPEIBIZWVLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16-12-14-7-10-18(13-14)11-8-15-6-4-5-9-17(15)2/h7,10,13,15-16H,3-6,8-9,11-12H2,1-2H3.
What are the key properties of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine?
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107913082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).