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

C14H25N3 — CID 107913072

IUPACN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCC1CCCCN1C
InChIInChI=1S/C14H25N3/c1-15-12-14-7-5-10-17(14)11-8-13-6-3-4-9-16(13)2/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyRRVTXILXWYPEMD-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.08
Rot. Bonds5

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

N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine (PubChem CID 107913072) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
PubChem CID107913072
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine
SMILESCNCc1cccn1CCC1CCCCN1C
InChIInChI=1S/C14H25N3/c1-15-12-14-7-5-10-17(14)11-8-13-6-3-4-9-16(13)2/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3
InChIKeyRRVTXILXWYPEMD-UHFFFAOYSA-N
XLogP2.08
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196
N,N-dimethyl-2-[2-(methylaminomethyl)pyrrol-1-yl]ethanamine
CID 66403495
N-methyl-1-[3-[2-(1-methylpiperidin-2-yl)ethylsulfanyl]phenyl]methanamine
CID 107914261
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-4-carbonitrile
CID 107919142
N-methyl-1-[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methanamine
CID 66401352
N'-hydroxy-1-[2-(1-methylpiperidin-2-yl)ethyl]-2-oxopyridine-3-carboximidamide
CID 107913580
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
CID 107914179
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
1-[3-fluoro-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911149
1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
1-[2-bromo-5-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylmethanamine
CID 107911135

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine (CID 107913072) is N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine is CNCc1cccn1CCC1CCCCN1C.
What is the InChIKey of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine?
The InChIKey is RRVTXILXWYPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-12-14-7-5-10-17(14)11-8-13-6-3-4-9-16(13)2/h5,7,10,13,15H,3-4,6,8-9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine?
N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine has a molecular weight of 235.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 107913072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).