1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine

C14H22N2 — CID 79558298

IUPAC1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CC1CC2CCC1C2
InChIInChI=1S/C14H22N2/c1-10(15)14-3-2-6-16(14)9-13-8-11-4-5-12(13)7-11/h2-3,6,10-13H,4-5,7-9,15H2,1H3
InChIKeyTVCFDHIQNSFZOA-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.94
Rot. Bonds3

About 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine (PubChem CID 79558298) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
PubChem CID79558298
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
SMILESCC(N)c1cccn1CC1CC2CCC1C2
InChIInChI=1S/C14H22N2/c1-10(15)14-3-2-6-16(14)9-13-8-11-4-5-12(13)7-11/h2-3,6,10-13H,4-5,7-9,15H2,1H3
InChIKeyTVCFDHIQNSFZOA-UHFFFAOYSA-N
XLogP2.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
CID 79549886
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396
1-(2-bicyclo[2.2.1]heptanylmethyl)-N-phenylimidazol-2-amine
CID 106572452
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]propan-2-amine
CID 106721215
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
CID 79550159
1-(2-bicyclo[2.2.1]heptanyl)-3-phenylbutan-2-ol
CID 79557822
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106572488
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
CID 83165975
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl (2S)-2-phenyl-2-pyrazol-1-ylacetate
CID 98787026

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine (CID 79558298) is 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine is CC(N)c1cccn1CC1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine?
The InChIKey is TVCFDHIQNSFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(15)14-3-2-6-16(14)9-13-8-11-4-5-12(13)7-11/h2-3,6,10-13H,4-5,7-9,15H2,1H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine?
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79558298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).