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

C13H24N2O — CID 66405314

IUPACN-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCCCOCCn1ccc(CNCC)c1
InChIInChI=1S/C13H24N2O/c1-3-5-9-16-10-8-15-7-6-13(12-15)11-14-4-2/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyNWDOASGNKSADMX-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.41
Rot. Bonds9

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

N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine (PubChem CID 66405314) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
PubChem CID66405314
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
SMILESCCCCOCCn1ccc(CNCC)c1
InChIInChI=1S/C13H24N2O/c1-3-5-9-16-10-8-15-7-6-13(12-15)11-14-4-2/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyNWDOASGNKSADMX-UHFFFAOYSA-N
XLogP2.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine
CID 66398003
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
CID 103181735
N-[(1-butylpyrrol-3-yl)methyl]-2-methoxyethanamine
CID 66406021
N-[[1-[2-(2-ethoxyphenoxy)ethyl]pyrrol-3-yl]methyl]ethanamine
CID 66406743
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
N-[[1-(3-methoxypropyl)pyrrol-3-yl]methyl]propan-1-amine
CID 66404929
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66414583

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine (CID 66405314) is N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine is CCCCOCCn1ccc(CNCC)c1.
What is the InChIKey of N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine?
The InChIKey is NWDOASGNKSADMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-5-9-16-10-8-15-7-6-13(12-15)11-14-4-2/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine?
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66405314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).