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

C17H31N3 — CID 107913087

IUPAC2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccn(CCC2CCCCN2C)c1
InChIInChI=1S/C17H31N3/c1-15(2)12-18-13-16-7-10-20(14-16)11-8-17-6-4-5-9-19(17)3/h7,10,14-15,17-18H,4-6,8-9,11-13H2,1-3H3
InChIKeyFPXLKDZGIHCRDT-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.11
Rot. Bonds7

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

2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine (PubChem CID 107913087) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
PubChem CID107913087
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccn(CCC2CCCCN2C)c1
InChIInChI=1S/C17H31N3/c1-15(2)12-18-13-16-7-10-20(14-16)11-8-17-6-4-5-9-19(17)3/h7,10,14-15,17-18H,4-6,8-9,11-13H2,1-3H3
InChIKeyFPXLKDZGIHCRDT-UHFFFAOYSA-N
XLogP3.11
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine (CID 107913087) is 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine is CC(C)CNCc1ccn(CCC2CCCCN2C)c1.
What is the InChIKey of 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
The InChIKey is FPXLKDZGIHCRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-15(2)12-18-13-16-7-10-20(14-16)11-8-17-6-4-5-9-19(17)3/h7,10,14-15,17-18H,4-6,8-9,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine?
2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 107913087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).