1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine

C14H26N2O — CID 66398003

IUPAC1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine
SMILESCCCCOCCn1ccc(CC(N)CC)c1
InChIInChI=1S/C14H26N2O/c1-3-5-9-17-10-8-16-7-6-13(12-16)11-14(15)4-2/h6-7,12,14H,3-5,8-11,15H2,1-2H3
InChIKeyYLCWQBZEPJZXLP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.58
Rot. Bonds9

About 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine

1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine (PubChem CID 66398003) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine
PubChem CID66398003
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine
SMILESCCCCOCCn1ccc(CC(N)CC)c1
InChIInChI=1S/C14H26N2O/c1-3-5-9-17-10-8-16-7-6-13(12-16)11-14(15)4-2/h6-7,12,14H,3-5,8-11,15H2,1-2H3
InChIKeyYLCWQBZEPJZXLP-UHFFFAOYSA-N
XLogP2.58
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.58
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-(2,2,2-trifluoroethoxy)ethyl]pyrrol-3-yl]butan-2-amine
CID 66399908
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrrol-3-yl]methanamine
CID 104565446
1-[1-(2-butoxyethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66406100
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
[1-(2-propoxyethyl)pyrrol-3-yl]methanamine
CID 106455260
1-(1-propylpyrrol-3-yl)propan-2-amine
CID 14739640
1-[1-[(4-tert-butylphenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66398431
1-[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]butan-2-amine
CID 107053857
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-[(3-bromophenyl)methyl]pyrrol-3-yl]butan-2-amine
CID 66399282
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
1-[1-(2-propoxyethyl)pyrrol-2-yl]butan-2-amine
CID 106457551

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine (CID 66398003) is 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine is CCCCOCCn1ccc(CC(N)CC)c1.
What is the InChIKey of 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine?
The InChIKey is YLCWQBZEPJZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-5-9-17-10-8-16-7-6-13(12-16)11-14(15)4-2/h6-7,12,14H,3-5,8-11,15H2,1-2H3.
What are the key properties of 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine?
1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine has a molecular weight of 238.37 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-butoxyethyl)pyrrol-3-yl]butan-2-amine is sourced from PubChem (CID 66398003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).