1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine

C14H26N2O — CID 79109745

IUPAC1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(CCOC)c1
InChIInChI=1S/C14H26N2O/c1-4-6-14(15-8-5-2)13-7-9-16(12-13)10-11-17-3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyBGECOWGWOOOOIB-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.98
Rot. Bonds9

About 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine

1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine (PubChem CID 79109745) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
PubChem CID79109745
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1ccn(CCOC)c1
InChIInChI=1S/C14H26N2O/c1-4-6-14(15-8-5-2)13-7-9-16(12-13)10-11-17-3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3
InChIKeyBGECOWGWOOOOIB-UHFFFAOYSA-N
XLogP2.98
TPSA26.19 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrrol-3-yl]butan-1-amine
CID 79108808
1-[1-[2-(2-methoxyethoxy)ethyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79109268
N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]butan-1-amine
CID 106717780
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
N-ethyl-1-[1-(methoxymethyl)pyrrol-3-yl]butan-1-amine
CID 79107829
N-propyl-1-[1-(pyridin-4-ylmethyl)pyrrol-3-yl]butan-1-amine
CID 79108315
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]butan-1-amine
CID 112591103
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074
1-[1-[(2-bromophenyl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108247
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
2-[2-[3-[1-(methylamino)butyl]pyrrol-1-yl]ethoxy]ethanol
CID 79107966
1-[1-(oxan-4-ylmethyl)pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108633

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine (CID 79109745) is 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine is CCCNC(CCC)c1ccn(CCOC)c1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
The InChIKey is BGECOWGWOOOOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-6-14(15-8-5-2)13-7-9-16(12-13)10-11-17-3/h7,9,12,14-15H,4-6,8,10-11H2,1-3H3.
What are the key properties of 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine?
1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrrol-3-yl]-N-propylbutan-1-amine is sourced from PubChem (CID 79109745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).