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

C13H20N2 — CID 79557924

IUPAC[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1CC1CC2CCC1C2
InChIInChI=1S/C13H20N2/c14-8-13-2-1-5-15(13)9-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9,14H2
InChIKeyGWKRWQISIOHHIU-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds3

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

[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine (PubChem CID 79557924) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
PubChem CID79557924
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1CC1CC2CCC1C2
InChIInChI=1S/C13H20N2/c14-8-13-2-1-5-15(13)9-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9,14H2
InChIKeyGWKRWQISIOHHIU-UHFFFAOYSA-N
XLogP2.38
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]butan-2-amine
CID 79549886
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
CID 79549808
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
CID 79550159
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
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,6-dimethylaniline
CID 107105713
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol
CID 102913233
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione
CID 79785172
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylaniline
CID 63687901
1-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydro-2H-quinolin-5-amine
CID 79558495
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrol-2-yl]methanamine
CID 79612105

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine (CID 79557924) is [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine is NCc1cccn1CC1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine?
The InChIKey is GWKRWQISIOHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-8-13-2-1-5-15(13)9-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9,14H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine?
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 79557924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).