1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine

C14H26N2O — CID 79097651

IUPAC1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccn(COCC)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-5-8-15-14(12(3)4)13-7-9-16(10-13)11-17-6-2/h7,9-10,12,14-15H,5-6,8,11H2,1-4H3
InChIKeyKGYCKKBZLPIUME-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.18
Rot. Bonds8

About 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine

1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine (PubChem CID 79097651) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
PubChem CID79097651
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccn(COCC)c1)C(C)C
InChIInChI=1S/C14H26N2O/c1-5-8-15-14(12(3)4)13-7-9-16(10-13)11-17-6-2/h7,9-10,12,14-15H,5-6,8,11H2,1-4H3
InChIKeyKGYCKKBZLPIUME-UHFFFAOYSA-N
XLogP3.18
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hexylpyrrol-3-yl)-2-methyl-N-propylpropan-1-amine
CID 79097646
1-[1-[3-(2-methoxyethoxy)propyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 103411325
1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine
CID 79098433
N-ethyl-2-methyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705503
N-ethyl-N-methyl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79097566
2-methyl-N-propyl-1-[1-(2-propylsulfonylethyl)pyrrol-3-yl]propan-1-amine
CID 106717790
1-[1-(cyclopropylmethoxymethyl)pyrrol-3-yl]-N-ethyl-2-methylpropan-1-amine
CID 106930189
N-butan-2-yl-2-[3-[2-methyl-1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79108845
2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79097821
1-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine
CID 79109146
N,2-dimethyl-1-[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]propan-1-amine
CID 106705502
N-ethyl-1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-amine
CID 79098074

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine (CID 79097651) is 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine is CCCNC(c1ccn(COCC)c1)C(C)C.
What is the InChIKey of 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine?
The InChIKey is KGYCKKBZLPIUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-8-15-14(12(3)4)13-7-9-16(10-13)11-17-6-2/h7,9-10,12,14-15H,5-6,8,11H2,1-4H3.
What are the key properties of 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine?
1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethoxymethyl)pyrrol-3-yl]-2-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 79097651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).