2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine

C14H26N2 — CID 66404829

IUPAC2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine
SMILESCCCCC(CC)Cn1ccc(CCN)c1
InChIInChI=1S/C14H26N2/c1-3-5-6-13(4-2)11-16-10-8-14(12-16)7-9-15/h8,10,12-13H,3-7,9,11,15H2,1-2H3
InChIKeyFOUKWXBFNGVYJH-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.21
Rot. Bonds8

About 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine

2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine (PubChem CID 66404829) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine
PubChem CID66404829
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine
SMILESCCCCC(CC)Cn1ccc(CCN)c1
InChIInChI=1S/C14H26N2/c1-3-5-6-13(4-2)11-16-10-8-14(12-16)7-9-15/h8,10,12-13H,3-7,9,11,15H2,1-2H3
InChIKeyFOUKWXBFNGVYJH-UHFFFAOYSA-N
XLogP3.21
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-propylpyrrol-3-yl)ethanamine
CID 66405428
2-[6-(2-aminoethyl)-9-(2-ethylhexyl)carbazol-3-yl]ethanamine
CID 170887976
3-[1-(2,2-difluoroethyl)pyrrol-3-yl]propan-1-amine
CID 84661423
2-[1-(3-fluoropropyl)pyrrol-3-yl]ethanamine
CID 84653816
3-dodecyl-1-ethylpyrrole
CID 66960014
1,3-dibutylpyrrole;hydrochloride
CID 175874933
4-(1-propylpyrrol-3-yl)butan-2-amine
CID 66414735
3-propyl-1-undecylpyrrole;hydrochloride
CID 175874758
(2S)-2-ethylhexan-1-amine
CID 6999997
[1-(2-ethylhexyl)pyrrol-2-yl]methanol
CID 66397815
1-dodecyl-3-propylpyrrole;formonitrile
CID 175849627
6,13-bis(2-ethylhexyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 16717830

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine (CID 66404829) is 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine is CCCCC(CC)Cn1ccc(CCN)c1.
What is the InChIKey of 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine?
The InChIKey is FOUKWXBFNGVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-6-13(4-2)11-16-10-8-14(12-16)7-9-15/h8,10,12-13H,3-7,9,11,15H2,1-2H3.
What are the key properties of 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine?
2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine has a molecular weight of 222.38 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylhexyl)pyrrol-3-yl]ethanamine is sourced from PubChem (CID 66404829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).