2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

C14H22N2O — CID 55248864

IUPAC2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)CC1CCCC1
InChIInChI=1S/C14H22N2O/c1-15-8-7-13(10-15)14(17)11-16(2)9-12-5-3-4-6-12/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyLTTOVUQGSJEDDA-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds5

About 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone

2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 55248864) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID55248864
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
SMILESCN(CC(=O)c1ccn(C)c1)CC1CCCC1
InChIInChI=1S/C14H22N2O/c1-15-8-7-13(10-15)14(17)11-16(2)9-12-5-3-4-6-12/h7-8,10,12H,3-6,9,11H2,1-2H3
InChIKeyLTTOVUQGSJEDDA-UHFFFAOYSA-N
XLogP2.33
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 79319089
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 63866776
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
2-[methyl(propyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 43795621
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 61446447
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62035518
2-[methyl(3-methylbutyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 61428682
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
1-[cyclohexylmethyl(methyl)amino]-3-phenylpropan-2-one
CID 61446057
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone (CID 55248864) is 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is CN(CC(=O)c1ccn(C)c1)CC1CCCC1.
What is the InChIKey of 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is LTTOVUQGSJEDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-7-13(10-15)14(17)11-16(2)9-12-5-3-4-6-12/h7-8,10,12H,3-6,9,11H2,1-2H3.
What are the key properties of 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone?
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 234.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 55248864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).