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

C15H27N3 — CID 114015196

IUPACN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCC1CCCCN1C
InChIInChI=1S/C15H27N3/c1-3-16-13-15-8-6-11-18(15)12-9-14-7-4-5-10-17(14)2/h6,8,11,14,16H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyAPIUFCDABJZZEQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.47
Rot. Bonds6

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

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 114015196) 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-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID114015196
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCCNCc1cccn1CCC1CCCCN1C
InChIInChI=1S/C15H27N3/c1-3-16-13-15-8-6-11-18(15)12-9-14-7-4-5-10-17(14)2/h6,8,11,14,16H,3-5,7,9-10,12-13H2,1-2H3
InChIKeyAPIUFCDABJZZEQ-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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine (CID 114015196) is N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine is CCNCc1cccn1CCC1CCCCN1C.
What is the InChIKey of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is APIUFCDABJZZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-16-13-15-8-6-11-18(15)12-9-14-7-4-5-10-17(14)2/h6,8,11,14,16H,3-5,7,9-10,12-13H2,1-2H3.
What are the key properties of N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine?
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-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-2-yl]methyl]ethanamine is sourced from PubChem (CID 114015196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).