N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine

C17H20N2 — CID 43768669

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)C1CC2C=CC1C2
InChIInChI=1S/C17H20N2/c1-11(16-9-12-2-3-13(16)8-12)19-15-4-5-17-14(10-15)6-7-18-17/h2-7,10-13,16,18-19H,8-9H2,1H3
InChIKeyWTQUWAXEBLJWCL-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.18
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine (PubChem CID 43768669) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine
PubChem CID43768669
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine
SMILESCC(Nc1ccc2[nH]ccc2c1)C1CC2C=CC1C2
InChIInChI=1S/C17H20N2/c1-11(16-9-12-2-3-13(16)8-12)19-15-4-5-17-14(10-15)6-7-18-17/h2-7,10-13,16,18-19H,8-9H2,1H3
InChIKeyWTQUWAXEBLJWCL-UHFFFAOYSA-N
XLogP4.18
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Indole
CID 798
Skatole
CID 6736
N,N-Dimethyltryptamine
CID 6089
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
3,3'-Diindolylmethane
CID 3071
(-)-Agroclavine
CID 73484
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine (CID 43768669) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine is CC(Nc1ccc2[nH]ccc2c1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine?
The InChIKey is WTQUWAXEBLJWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-11(16-9-12-2-3-13(16)8-12)19-15-4-5-17-14(10-15)6-7-18-17/h2-7,10-13,16,18-19H,8-9H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine has a molecular weight of 252.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-1H-indol-5-amine is sourced from PubChem (CID 43768669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).