2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

C9H15N — CID 98147464

IUPAC2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
SMILESNCC[C@@H]1C[C@@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,10H2/t7-,8-,9-/m1/s1
InChIKeyIGRYFUUCWNBVDN-IWSPIJDZSA-N
MW137.23 g/mol
LogP1.55
Rot. Bonds2

About 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine

2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine (PubChem CID 98147464) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine.

Molecular Properties

Compound Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
PubChem CID98147464
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine
SMILESNCC[C@@H]1C[C@@H]2C=C[C@@H]1C2
InChIInChI=1S/C9H15N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,10H2/t7-,8-,9-/m1/s1
InChIKeyIGRYFUUCWNBVDN-IWSPIJDZSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-bicyclo[2.2.1]hept-5-enylmethanamine;methane
CID 169244944
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
3-(2-bicyclo[2.2.1]hept-5-enyl)propanenitrile
CID 22336686
(1R,4R)-5-(chloromethyl)bicyclo[2.2.1]hept-2-ene
CID 11815475
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828
CID 123207984
CID 123207984
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303
5-butylbicyclo[2.2.1]hept-2-ene;5-pentylbicyclo[2.2.1]hept-2-ene
CID 159790983
5-octadecylbicyclo[2.2.1]hept-2-ene
CID 22169146
5-heptylbicyclo[2.2.1]hept-2-ene
CID 22253270

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The IUPAC name of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine (CID 98147464) is 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine.
What is the SMILES notation for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The canonical SMILES for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine is NCC[C@@H]1C[C@@H]2C=C[C@@H]1C2.
What is the InChIKey of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
The InChIKey is IGRYFUUCWNBVDN-IWSPIJDZSA-N. The full InChI is InChI=1S/C9H15N/c10-4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6,10H2/t7-,8-,9-/m1/s1.
What are the key properties of 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine?
2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine has a molecular weight of 137.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethanamine is sourced from PubChem (CID 98147464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).